├── .gitignore ├── Allmols_info.json ├── Analysis ├── Errors_per_set.xlsx ├── Molecule_Energies.xlsx ├── Reaction_Energies.xlsx ├── Relative_metric_per_set.xlsx ├── Results.xlsx ├── Statistical_errors.xlsx └── analyze.ipynb ├── Info ├── DatasetEval.xlsx ├── Datasets.xlsx ├── FD_stepsize.xlsx └── Standard_errors.xlsx ├── LICENSE ├── README.md ├── qchem_inputs ├── 01_water-ammonia_0p9_dim_A21x12.in ├── 01_water-ammonia_1p0_dim_A21x12.in ├── 01_water-ammonia_1p1_dim_A21x12.in ├── 01_water-ammonia_1p2_dim_A21x12.in ├── 01_water-ammonia_1p4_dim_A21x12.in ├── 01_water-ammonia_1p6_dim_A21x12.in ├── 01_water-ammonia_2p0_dim_A21x12.in ├── 01a_water_dimAB_3B-69.in ├── 01a_water_dimAC_3B-69.in ├── 01a_water_dimBC_3B-69.in ├── 01a_water_monA_3B-69.in ├── 01a_water_monB_3B-69.in ├── 01a_water_monC_3B-69.in ├── 01a_water_trim_3B-69.in ├── 01b_water_dimAB_3B-69.in ├── 01b_water_dimAC_3B-69.in ├── 01b_water_dimBC_3B-69.in ├── 01b_water_monA_3B-69.in ├── 01b_water_monB_3B-69.in ├── 01b_water_monC_3B-69.in ├── 01b_water_trim_3B-69.in ├── 01c_water_dimAB_3B-69.in ├── 01c_water_dimAC_3B-69.in ├── 01c_water_dimBC_3B-69.in ├── 01c_water_monA_3B-69.in ├── 01c_water_monB_3B-69.in ├── 01c_water_monC_3B-69.in ├── 01c_water_trim_3B-69.in ├── 02a_formaldehyde_dimAB_3B-69.in ├── 02a_formaldehyde_dimAC_3B-69.in ├── 02a_formaldehyde_dimBC_3B-69.in ├── 02a_formaldehyde_monA_3B-69.in ├── 02a_formaldehyde_monB_3B-69.in ├── 02a_formaldehyde_monC_3B-69.in ├── 02a_formaldehyde_trim_3B-69.in ├── 02b_formaldehyde_dimAB_3B-69.in ├── 02b_formaldehyde_dimAC_3B-69.in ├── 02b_formaldehyde_dimBC_3B-69.in ├── 02b_formaldehyde_monA_3B-69.in ├── 02b_formaldehyde_monB_3B-69.in ├── 02b_formaldehyde_monC_3B-69.in ├── 02b_formaldehyde_trim_3B-69.in ├── 02c_formaldehyde_dimAB_3B-69.in ├── 02c_formaldehyde_dimAC_3B-69.in ├── 02c_formaldehyde_dimBC_3B-69.in ├── 02c_formaldehyde_monA_3B-69.in ├── 02c_formaldehyde_monB_3B-69.in ├── 02c_formaldehyde_monC_3B-69.in ├── 02c_formaldehyde_trim_3B-69.in ├── 03_HCN-dimer_0p9_dim_A21x12.in ├── 03_HCN-dimer_1p0_dim_A21x12.in ├── 03_HCN-dimer_1p1_dim_A21x12.in ├── 03_HCN-dimer_1p2_dim_A21x12.in ├── 03_HCN-dimer_1p4_dim_A21x12.in ├── 03_HCN-dimer_1p6_dim_A21x12.in ├── 03_HCN-dimer_2p0_dim_A21x12.in ├── 03a_methanol_ethyne_dimAB_3B-69.in ├── 03a_methanol_ethyne_dimAC_3B-69.in ├── 03a_methanol_ethyne_dimBC_3B-69.in ├── 03a_methanol_ethyne_monA_3B-69.in ├── 03a_methanol_ethyne_monB_3B-69.in ├── 03a_methanol_ethyne_monC_3B-69.in ├── 03a_methanol_ethyne_trim_3B-69.in ├── 03b_methanol_ethyne_dimAB_3B-69.in ├── 03b_methanol_ethyne_dimAC_3B-69.in ├── 03b_methanol_ethyne_dimBC_3B-69.in ├── 03b_methanol_ethyne_monA_3B-69.in ├── 03b_methanol_ethyne_monB_3B-69.in ├── 03b_methanol_ethyne_monC_3B-69.in ├── 03b_methanol_ethyne_trim_3B-69.in ├── 03c_methanol_ethyne_dimAB_3B-69.in ├── 03c_methanol_ethyne_dimAC_3B-69.in ├── 03c_methanol_ethyne_dimBC_3B-69.in ├── 03c_methanol_ethyne_monA_3B-69.in ├── 03c_methanol_ethyne_monB_3B-69.in ├── 03c_methanol_ethyne_monC_3B-69.in ├── 03c_methanol_ethyne_trim_3B-69.in ├── 04_HF-dimer_0p9_dim_A21x12.in ├── 04_HF-dimer_1p0_dim_A21x12.in ├── 04_HF-dimer_1p1_dim_A21x12.in ├── 04_HF-dimer_1p2_dim_A21x12.in ├── 04_HF-dimer_1p4_dim_A21x12.in ├── 04_HF-dimer_1p6_dim_A21x12.in ├── 04_HF-dimer_2p0_dim_A21x12.in ├── 04a_acetonitrile_dimAB_3B-69.in ├── 04a_acetonitrile_dimAC_3B-69.in ├── 04a_acetonitrile_dimBC_3B-69.in ├── 04a_acetonitrile_monA_3B-69.in ├── 04a_acetonitrile_monB_3B-69.in ├── 04a_acetonitrile_monC_3B-69.in ├── 04a_acetonitrile_trim_3B-69.in ├── 04b_acetonitrile_dimAB_3B-69.in ├── 04b_acetonitrile_dimAC_3B-69.in ├── 04b_acetonitrile_dimBC_3B-69.in ├── 04b_acetonitrile_monA_3B-69.in ├── 04b_acetonitrile_monB_3B-69.in ├── 04b_acetonitrile_monC_3B-69.in ├── 04b_acetonitrile_trim_3B-69.in ├── 04c_acetonitrile_dimAB_3B-69.in ├── 04c_acetonitrile_dimAC_3B-69.in ├── 04c_acetonitrile_dimBC_3B-69.in ├── 04c_acetonitrile_monA_3B-69.in ├── 04c_acetonitrile_monB_3B-69.in ├── 04c_acetonitrile_monC_3B-69.in ├── 04c_acetonitrile_trim_3B-69.in ├── 05_ammonia-dimer_0p9_dim_A21x12.in ├── 05_ammonia-dimer_1p0_dim_A21x12.in ├── 05_ammonia-dimer_1p1_dim_A21x12.in ├── 05_ammonia-dimer_1p2_dim_A21x12.in ├── 05_ammonia-dimer_1p4_dim_A21x12.in ├── 05_ammonia-dimer_1p6_dim_A21x12.in ├── 05_ammonia-dimer_2p0_dim_A21x12.in ├── 05a_nitromethane_dimAB_3B-69.in ├── 05a_nitromethane_dimAC_3B-69.in ├── 05a_nitromethane_dimBC_3B-69.in ├── 05a_nitromethane_monA_3B-69.in ├── 05a_nitromethane_monB_3B-69.in ├── 05a_nitromethane_monC_3B-69.in ├── 05a_nitromethane_trim_3B-69.in ├── 05b_nitromethane_dimAB_3B-69.in ├── 05b_nitromethane_dimAC_3B-69.in ├── 05b_nitromethane_dimBC_3B-69.in ├── 05b_nitromethane_monA_3B-69.in ├── 05b_nitromethane_monB_3B-69.in ├── 05b_nitromethane_monC_3B-69.in ├── 05b_nitromethane_trim_3B-69.in ├── 05c_nitromethane_dimAB_3B-69.in ├── 05c_nitromethane_dimAC_3B-69.in ├── 05c_nitromethane_dimBC_3B-69.in ├── 05c_nitromethane_monA_3B-69.in ├── 05c_nitromethane_monB_3B-69.in ├── 05c_nitromethane_monC_3B-69.in ├── 05c_nitromethane_trim_3B-69.in ├── 06_HF-methane_0p9_dim_A21x12.in ├── 06_HF-methane_1p0_dim_A21x12.in ├── 06_HF-methane_1p1_dim_A21x12.in ├── 06_HF-methane_1p2_dim_A21x12.in ├── 06_HF-methane_1p4_dim_A21x12.in ├── 06_HF-methane_1p6_dim_A21x12.in ├── 06_HF-methane_2p0_dim_A21x12.in ├── 06a_acetic_acid_dimAB_3B-69.in ├── 06a_acetic_acid_dimAC_3B-69.in ├── 06a_acetic_acid_dimBC_3B-69.in ├── 06a_acetic_acid_monA_3B-69.in ├── 06a_acetic_acid_monB_3B-69.in ├── 06a_acetic_acid_monC_3B-69.in ├── 06a_acetic_acid_trim_3B-69.in ├── 06b_acetic_acid_dimAB_3B-69.in ├── 06b_acetic_acid_dimAC_3B-69.in ├── 06b_acetic_acid_dimBC_3B-69.in ├── 06b_acetic_acid_monA_3B-69.in ├── 06b_acetic_acid_monB_3B-69.in ├── 06b_acetic_acid_monC_3B-69.in ├── 06b_acetic_acid_trim_3B-69.in ├── 06c_acetic_acid_dimAB_3B-69.in ├── 06c_acetic_acid_dimAC_3B-69.in ├── 06c_acetic_acid_dimBC_3B-69.in ├── 06c_acetic_acid_monA_3B-69.in ├── 06c_acetic_acid_monB_3B-69.in ├── 06c_acetic_acid_monC_3B-69.in ├── 06c_acetic_acid_trim_3B-69.in ├── 07_ammonia-methane_0p9_dim_A21x12.in ├── 07_ammonia-methane_1p0_dim_A21x12.in ├── 07_ammonia-methane_1p1_dim_A21x12.in ├── 07_ammonia-methane_1p2_dim_A21x12.in ├── 07_ammonia-methane_1p4_dim_A21x12.in ├── 07_ammonia-methane_1p6_dim_A21x12.in ├── 07_ammonia-methane_2p0_dim_A21x12.in ├── 07a_oxalic_acid_dimAB_3B-69.in ├── 07a_oxalic_acid_dimAC_3B-69.in ├── 07a_oxalic_acid_dimBC_3B-69.in ├── 07a_oxalic_acid_monA_3B-69.in ├── 07a_oxalic_acid_monB_3B-69.in ├── 07a_oxalic_acid_monC_3B-69.in ├── 07a_oxalic_acid_trim_3B-69.in ├── 07b_oxalic_acid_dimAB_3B-69.in ├── 07b_oxalic_acid_dimAC_3B-69.in ├── 07b_oxalic_acid_dimBC_3B-69.in ├── 07b_oxalic_acid_monA_3B-69.in ├── 07b_oxalic_acid_monB_3B-69.in ├── 07b_oxalic_acid_monC_3B-69.in ├── 07b_oxalic_acid_trim_3B-69.in ├── 07c_oxalic_acid_dimAB_3B-69.in ├── 07c_oxalic_acid_dimAC_3B-69.in ├── 07c_oxalic_acid_dimBC_3B-69.in ├── 07c_oxalic_acid_monA_3B-69.in ├── 07c_oxalic_acid_monB_3B-69.in ├── 07c_oxalic_acid_monC_3B-69.in ├── 07c_oxalic_acid_trim_3B-69.in ├── 08_water-methane_0p9_dim_A21x12.in ├── 08_water-methane_1p0_dim_A21x12.in ├── 08_water-methane_1p1_dim_A21x12.in ├── 08_water-methane_1p2_dim_A21x12.in ├── 08_water-methane_1p4_dim_A21x12.in ├── 08_water-methane_1p6_dim_A21x12.in ├── 08_water-methane_2p0_dim_A21x12.in ├── 08a_vinylene_carbonate_dimAB_3B-69.in ├── 08a_vinylene_carbonate_dimAC_3B-69.in ├── 08a_vinylene_carbonate_dimBC_3B-69.in ├── 08a_vinylene_carbonate_monA_3B-69.in ├── 08a_vinylene_carbonate_monB_3B-69.in ├── 08a_vinylene_carbonate_monC_3B-69.in ├── 08a_vinylene_carbonate_trim_3B-69.in ├── 08b_vinylene_carbonate_dimAB_3B-69.in ├── 08b_vinylene_carbonate_dimAC_3B-69.in ├── 08b_vinylene_carbonate_dimBC_3B-69.in ├── 08b_vinylene_carbonate_monA_3B-69.in ├── 08b_vinylene_carbonate_monB_3B-69.in ├── 08b_vinylene_carbonate_monC_3B-69.in ├── 08b_vinylene_carbonate_trim_3B-69.in ├── 08c_vinylene_carbonate_dimAB_3B-69.in ├── 08c_vinylene_carbonate_dimAC_3B-69.in ├── 08c_vinylene_carbonate_dimBC_3B-69.in ├── 08c_vinylene_carbonate_monA_3B-69.in ├── 08c_vinylene_carbonate_monB_3B-69.in ├── 08c_vinylene_carbonate_monC_3B-69.in ├── 08c_vinylene_carbonate_trim_3B-69.in ├── 09_formaldehyde-dimer_0p9_dim_A21x12.in ├── 09_formaldehyde-dimer_1p0_dim_A21x12.in ├── 09_formaldehyde-dimer_1p1_dim_A21x12.in ├── 09_formaldehyde-dimer_1p2_dim_A21x12.in ├── 09_formaldehyde-dimer_1p4_dim_A21x12.in ├── 09_formaldehyde-dimer_1p6_dim_A21x12.in ├── 09_formaldehyde-dimer_2p0_dim_A21x12.in ├── 09a_acetamide_dimAB_3B-69.in ├── 09a_acetamide_dimAC_3B-69.in ├── 09a_acetamide_dimBC_3B-69.in ├── 09a_acetamide_monA_3B-69.in ├── 09a_acetamide_monB_3B-69.in ├── 09a_acetamide_monC_3B-69.in ├── 09a_acetamide_trim_3B-69.in ├── 09b_acetamide_dimAB_3B-69.in ├── 09b_acetamide_dimAC_3B-69.in ├── 09b_acetamide_dimBC_3B-69.in ├── 09b_acetamide_monA_3B-69.in ├── 09b_acetamide_monB_3B-69.in ├── 09b_acetamide_monC_3B-69.in ├── 09b_acetamide_trim_3B-69.in ├── 09c_acetamide_dimAB_3B-69.in ├── 09c_acetamide_dimAC_3B-69.in ├── 09c_acetamide_dimBC_3B-69.in ├── 09c_acetamide_monA_3B-69.in ├── 09c_acetamide_monB_3B-69.in ├── 09c_acetamide_monC_3B-69.in ├── 09c_acetamide_trim_3B-69.in ├── 101_BzBz_PD32-0p2_dim_NBC10.in ├── 101_BzBz_PD32-0p2_monA_NBC10.in ├── 101_BzBz_PD32-0p2_monB_NBC10.in ├── 102_BzBz_PD32-0p4_dim_NBC10.in ├── 103_BzBz_PD32-0p6_dim_NBC10.in ├── 104_BzBz_PD32-0p8_dim_NBC10.in ├── 105_BzBz_PD32-1p0_dim_NBC10.in ├── 106_BzBz_PD32-1p2_dim_NBC10.in ├── 107_BzBz_PD32-1p4_dim_NBC10.in ├── 108_BzBz_PD32-1p5_dim_NBC10.in ├── 109_BzBz_PD32-1p6_dim_NBC10.in ├── 10_water-ethene_0p9_dim_A21x12.in ├── 10_water-ethene_1p0_dim_A21x12.in ├── 10_water-ethene_1p1_dim_A21x12.in ├── 10_water-ethene_1p2_dim_A21x12.in ├── 10_water-ethene_1p4_dim_A21x12.in ├── 10_water-ethene_1p6_dim_A21x12.in ├── 10_water-ethene_2p0_dim_A21x12.in ├── 10a_imidazole_dimAB_3B-69.in ├── 10a_imidazole_dimAC_3B-69.in ├── 10a_imidazole_dimBC_3B-69.in ├── 10a_imidazole_monA_3B-69.in ├── 10a_imidazole_monB_3B-69.in ├── 10a_imidazole_monC_3B-69.in ├── 10a_imidazole_trim_3B-69.in ├── 10b_imidazole_dimAB_3B-69.in ├── 10b_imidazole_dimAC_3B-69.in ├── 10b_imidazole_dimBC_3B-69.in ├── 10b_imidazole_monA_3B-69.in ├── 10b_imidazole_monB_3B-69.in ├── 10b_imidazole_monC_3B-69.in ├── 10b_imidazole_trim_3B-69.in ├── 10c_imidazole_dimAB_3B-69.in ├── 10c_imidazole_dimAC_3B-69.in ├── 10c_imidazole_dimBC_3B-69.in ├── 10c_imidazole_monA_3B-69.in ├── 10c_imidazole_monB_3B-69.in ├── 10c_imidazole_monC_3B-69.in ├── 10c_imidazole_trim_3B-69.in ├── 10prod1_CR20.in ├── 10prod2_CR20.in ├── 10prod_DIE60.in ├── 10react_CR20.in ├── 10react_DIE60.in ├── 110_BzBz_PD32-1p7_dim_NBC10.in ├── 111_BzBz_PD32-1p8_dim_NBC10.in ├── 112_BzBz_PD32-1p9_dim_NBC10.in ├── 113_BzBz_PD32-2p0_dim_NBC10.in ├── 114_BzBz_PD32-2p2_dim_NBC10.in ├── 115_BzBz_PD32-2p4_dim_NBC10.in ├── 116_BzBz_PD32-2p6_dim_NBC10.in ├── 117_BzBz_PD32-2p8_dim_NBC10.in ├── 118_BzBz_PD32-3p0_dim_NBC10.in ├── 119_BzBz_PD34-0p2_dim_NBC10.in ├── 119_BzBz_PD34-0p2_monA_NBC10.in ├── 119_BzBz_PD34-0p2_monB_NBC10.in ├── 11_000-000-SP_Pentane14.in ├── 11_Benzene_Ne_2p800_BzDC215.in ├── 11_Benzene_Ne_2p900_BzDC215.in ├── 11_Benzene_Ne_3p000_BzDC215.in ├── 11_Benzene_Ne_3p100_BzDC215.in ├── 11_Benzene_Ne_3p150_BzDC215.in ├── 11_Benzene_Ne_3p200_BzDC215.in ├── 11_Benzene_Ne_3p250_BzDC215.in ├── 11_Benzene_Ne_3p300_BzDC215.in ├── 11_Benzene_Ne_3p350_BzDC215.in ├── 11_Benzene_Ne_3p400_BzDC215.in ├── 11_Benzene_Ne_3p500_BzDC215.in ├── 11_Benzene_Ne_3p600_BzDC215.in ├── 11_Benzene_Ne_3p700_BzDC215.in ├── 11_Benzene_Ne_3p800_BzDC215.in ├── 11_Benzene_Ne_3p900_BzDC215.in ├── 11_Benzene_Ne_4p000_BzDC215.in ├── 11_Benzene_Ne_4p250_BzDC215.in ├── 11_Benzene_Ne_4p500_BzDC215.in ├── 11_Benzene_Ne_4p750_BzDC215.in ├── 11_Benzene_Ne_5p000_BzDC215.in ├── 11_Benzene_Ne_5p500_BzDC215.in ├── 11_Benzene_Ne_6p000_BzDC215.in ├── 11_Benzene_Ne_6p500_BzDC215.in ├── 11_Benzene_Ne_7p000_BzDC215.in ├── 11_Benzene_Ne_monA_BzDC215.in ├── 11_Benzene_Ne_monB_BzDC215.in ├── 11_Br2_XB18.in ├── 11_C20BowlC5v_C20C24.in ├── 11_C4H4_Platonic24.in ├── 11_CH4_H2O_OH__C_dim_HW30.in ├── 11_CH4_H2O_OH__C_monA_HW30.in ├── 11_CH4_H2O_OH__C_monB_HW30.in ├── 11_Cl-_ClF_dim_Bauza30.in ├── 11_Cl-_ClF_monA_Bauza30.in ├── 11_Cl-_ClF_monB_Bauza30.in ├── 11_ClF-A_dim_CT20.in ├── 11_ClF-A_monA_CT20.in ├── 11_ClF-A_monB_CT20.in ├── 11_ClHNH3_HB49.in ├── 11_H2O1F_HW6F.in ├── 11_H2O1F_mon1_HW6F.in ├── 11_H2O1F_mon2_HW6F.in ├── 11_H2O_TA13.in ├── 11_H_AE18.in ├── 11_Isomer1_FmH2O10.in ├── 11_Isomer1_Styrene45.in ├── 11_Isomer1_mon10_FmH2O10.in ├── 11_Isomer1_mon11_FmH2O10.in ├── 11_Isomer1_mon1_FmH2O10.in ├── 11_Isomer1_mon2_FmH2O10.in ├── 11_Isomer1_mon3_FmH2O10.in ├── 11_Isomer1_mon4_FmH2O10.in ├── 11_Isomer1_mon5_FmH2O10.in ├── 11_Isomer1_mon6_FmH2O10.in ├── 11_Isomer1_mon7_FmH2O10.in ├── 11_Isomer1_mon8_FmH2O10.in ├── 11_Isomer1_mon9_FmH2O10.in ├── 11_NH2Br_HNBrBDE18.in ├── 11_Reactant1_EIE22.in ├── 11_Rxn1_TS_0cat_WCPT27.in ├── 11_ala29-big_dim_HSG.in ├── 11_ala29-big_monA_HSG.in ├── 11_ala29-big_monB_HSG.in ├── 11_boat-a_H2O16Rel5.in ├── 11_c2h4_BH76.in ├── 11_ch3oh_ch3sch3_cs_dim_DS14.in ├── 11_ch3oh_ch3sch3_cs_monA_DS14.in ├── 11_ch3oh_ch3sch3_cs_monB_DS14.in ├── 11_formaldehyde-ethene_0p9_dim_A21x12.in ├── 11_formaldehyde-ethene_1p0_dim_A21x12.in ├── 11_formaldehyde-ethene_1p1_dim_A21x12.in ├── 11_formaldehyde-ethene_1p2_dim_A21x12.in ├── 11_formaldehyde-ethene_1p4_dim_A21x12.in ├── 11_formaldehyde-ethene_1p6_dim_A21x12.in ├── 11_formaldehyde-ethene_2p0_dim_A21x12.in ├── 11_isomer1_H2O20Bind10.in ├── 11_isomer1_mon10_H2O20Bind10.in ├── 11_isomer1_mon11_H2O20Bind10.in ├── 11_isomer1_mon12_H2O20Bind10.in ├── 11_isomer1_mon13_H2O20Bind10.in ├── 11_isomer1_mon14_H2O20Bind10.in ├── 11_isomer1_mon15_H2O20Bind10.in ├── 11_isomer1_mon16_H2O20Bind10.in ├── 11_isomer1_mon17_H2O20Bind10.in ├── 11_isomer1_mon18_H2O20Bind10.in ├── 11_isomer1_mon19_H2O20Bind10.in ├── 11_isomer1_mon1_H2O20Bind10.in ├── 11_isomer1_mon20_H2O20Bind10.in ├── 11_isomer1_mon2_H2O20Bind10.in ├── 11_isomer1_mon3_H2O20Bind10.in ├── 11_isomer1_mon4_H2O20Bind10.in ├── 11_isomer1_mon5_H2O20Bind10.in ├── 11_isomer1_mon6_H2O20Bind10.in ├── 11_isomer1_mon7_H2O20Bind10.in ├── 11_isomer1_mon8_H2O20Bind10.in ├── 11_isomer1_mon9_H2O20Bind10.in ├── 11_methane_Alk44.in ├── 11a_isoxazole_dimAB_3B-69.in ├── 11a_isoxazole_dimAC_3B-69.in ├── 11a_isoxazole_dimBC_3B-69.in ├── 11a_isoxazole_monA_3B-69.in ├── 11a_isoxazole_monB_3B-69.in ├── 11a_isoxazole_monC_3B-69.in ├── 11a_isoxazole_trim_3B-69.in ├── 11b_isoxazole_dimAB_3B-69.in ├── 11b_isoxazole_dimAC_3B-69.in ├── 11b_isoxazole_dimBC_3B-69.in ├── 11b_isoxazole_monA_3B-69.in ├── 11b_isoxazole_monB_3B-69.in ├── 11b_isoxazole_monC_3B-69.in ├── 11b_isoxazole_trim_3B-69.in ├── 11c_isoxazole_dimAB_3B-69.in ├── 11c_isoxazole_dimAC_3B-69.in ├── 11c_isoxazole_dimBC_3B-69.in ├── 11c_isoxazole_monA_3B-69.in ├── 11c_isoxazole_monB_3B-69.in ├── 11c_isoxazole_monC_3B-69.in ├── 11c_isoxazole_trim_3B-69.in ├── 11prod1_CR20.in ├── 11prod2_CR20.in ├── 11prod_DIE60.in ├── 11react_CR20.in ├── 11react_DIE60.in ├── 120_BzBz_PD34-0p4_dim_NBC10.in ├── 121_BzBz_PD34-0p6_dim_NBC10.in ├── 122_BzBz_PD34-0p8_dim_NBC10.in ├── 123_BzBz_PD34-1p0_dim_NBC10.in ├── 124_BzBz_PD34-1p2_dim_NBC10.in ├── 125_BzBz_PD34-1p4_dim_NBC10.in ├── 126_BzBz_PD34-1p5_dim_NBC10.in ├── 127_BzBz_PD34-1p6_dim_NBC10.in ├── 128_BzBz_PD34-1p7_dim_NBC10.in ├── 129_BzBz_PD34-1p8_dim_NBC10.in ├── 12_080-000-TS_Pentane14.in ├── 12_Ar-HF_dim_NC15.in ├── 12_Ar-HF_monA_NC15.in ├── 12_Ar-HF_monB_NC15.in ├── 12_Benzene_HF_2p800_BzDC215.in ├── 12_Benzene_HF_2p900_BzDC215.in ├── 12_Benzene_HF_3p000_BzDC215.in ├── 12_Benzene_HF_3p100_BzDC215.in ├── 12_Benzene_HF_3p150_BzDC215.in ├── 12_Benzene_HF_3p200_BzDC215.in ├── 12_Benzene_HF_3p250_BzDC215.in ├── 12_Benzene_HF_3p300_BzDC215.in ├── 12_Benzene_HF_3p400_BzDC215.in ├── 12_Benzene_HF_3p500_BzDC215.in ├── 12_Benzene_HF_3p600_BzDC215.in ├── 12_Benzene_HF_3p700_BzDC215.in ├── 12_Benzene_HF_3p800_BzDC215.in ├── 12_Benzene_HF_3p900_BzDC215.in ├── 12_Benzene_HF_4p000_BzDC215.in ├── 12_Benzene_HF_4p250_BzDC215.in ├── 12_Benzene_HF_4p500_BzDC215.in ├── 12_Benzene_HF_4p750_BzDC215.in ├── 12_Benzene_HF_5p000_BzDC215.in ├── 12_Benzene_HF_5p500_BzDC215.in ├── 12_Benzene_HF_6p000_BzDC215.in ├── 12_Benzene_HF_6p500_BzDC215.in ├── 12_Benzene_HF_7p000_BzDC215.in ├── 12_Benzene_HF_monA_BzDC215.in ├── 12_Benzene_HF_monB_BzDC215.in ├── 12_Br-_ClF_dim_Bauza30.in ├── 12_Br-_ClF_monA_Bauza30.in ├── 12_Br-_ClF_monB_Bauza30.in ├── 12_Br2NCH_XB18.in ├── 12_C6H6_Platonic24.in ├── 12_CH4_H2O_CH__O_dim_HW30.in ├── 12_CH4_H2O_CH__O_monA_HW30.in ├── 12_CH4_H2O_CH__O_monB_HW30.in ├── 12_CNH2O_HB49.in ├── 12_ClF-B_dim_CT20.in ├── 12_ClF-B_monA_CT20.in ├── 12_ClF-B_monB_CT20.in ├── 12_H2O2Cl_HW6Cl.in ├── 12_H2O2Cl_mon1_HW6Cl.in ├── 12_H2O2Cl_mon2_HW6Cl.in ├── 12_H2O2Cl_mon3_HW6Cl.in ├── 12_H2O2F_HW6F.in ├── 12_H2O2F_mon1_HW6F.in ├── 12_H2O2F_mon2_HW6F.in ├── 12_H2O2F_mon3_HW6F.in ├── 12_HF_TA13.in ├── 12_He_AE18.in ├── 12_Isomer2_FmH2O10.in ├── 12_Isomer2_Styrene45.in ├── 12_Isomer2_mon10_FmH2O10.in ├── 12_Isomer2_mon11_FmH2O10.in ├── 12_Isomer2_mon1_FmH2O10.in ├── 12_Isomer2_mon2_FmH2O10.in ├── 12_Isomer2_mon3_FmH2O10.in ├── 12_Isomer2_mon4_FmH2O10.in ├── 12_Isomer2_mon5_FmH2O10.in ├── 12_Isomer2_mon6_FmH2O10.in ├── 12_Isomer2_mon7_FmH2O10.in ├── 12_Isomer2_mon8_FmH2O10.in ├── 12_Isomer2_mon9_FmH2O10.in ├── 12_NH2rad_HNBrBDE18.in ├── 12_Product1_EIE22.in ├── 12_Rxn2_TS_0cat_WCPT27.in ├── 12_ala128-small_dim_HSG.in ├── 12_ala128-small_monA_HSG.in ├── 12_ala128-small_monB_HSG.in ├── 12_boat-b_H2O16Rel5.in ├── 12_c2h5_lower_BH76.in ├── 12_ch3sch3_benzene_c2v_dim_DS14.in ├── 12_ch3sch3_benzene_c2v_monA_DS14.in ├── 12_ch3sch3_benzene_c2v_monB_DS14.in ├── 12_ethane_Alk44.in ├── 12_ethyne-dimer_0p9_dim_A21x12.in ├── 12_ethyne-dimer_1p0_dim_A21x12.in ├── 12_ethyne-dimer_1p1_dim_A21x12.in ├── 12_ethyne-dimer_1p2_dim_A21x12.in ├── 12_ethyne-dimer_1p4_dim_A21x12.in ├── 12_ethyne-dimer_1p6_dim_A21x12.in ├── 12_ethyne-dimer_2p0_dim_A21x12.in ├── 12_isomer2_H2O20Bind10.in ├── 12_isomer2_mon10_H2O20Bind10.in ├── 12_isomer2_mon11_H2O20Bind10.in ├── 12_isomer2_mon12_H2O20Bind10.in ├── 12_isomer2_mon13_H2O20Bind10.in ├── 12_isomer2_mon14_H2O20Bind10.in ├── 12_isomer2_mon15_H2O20Bind10.in ├── 12_isomer2_mon16_H2O20Bind10.in ├── 12_isomer2_mon17_H2O20Bind10.in ├── 12_isomer2_mon18_H2O20Bind10.in ├── 12_isomer2_mon19_H2O20Bind10.in ├── 12_isomer2_mon1_H2O20Bind10.in ├── 12_isomer2_mon20_H2O20Bind10.in ├── 12_isomer2_mon2_H2O20Bind10.in ├── 12_isomer2_mon3_H2O20Bind10.in ├── 12_isomer2_mon4_H2O20Bind10.in ├── 12_isomer2_mon5_H2O20Bind10.in ├── 12_isomer2_mon6_H2O20Bind10.in ├── 12_isomer2_mon7_H2O20Bind10.in ├── 12_isomer2_mon8_H2O20Bind10.in ├── 12_isomer2_mon9_H2O20Bind10.in ├── 12a_pyrazole_dimAB_3B-69.in ├── 12a_pyrazole_dimAC_3B-69.in ├── 12a_pyrazole_dimBC_3B-69.in ├── 12a_pyrazole_monA_3B-69.in ├── 12a_pyrazole_monB_3B-69.in ├── 12a_pyrazole_monC_3B-69.in ├── 12a_pyrazole_trim_3B-69.in ├── 12b_pyrazole_dimAB_3B-69.in ├── 12b_pyrazole_dimAC_3B-69.in ├── 12b_pyrazole_dimBC_3B-69.in ├── 12b_pyrazole_monA_3B-69.in ├── 12b_pyrazole_monB_3B-69.in ├── 12b_pyrazole_monC_3B-69.in ├── 12b_pyrazole_trim_3B-69.in ├── 12c_pyrazole_dimAB_3B-69.in ├── 12c_pyrazole_dimAC_3B-69.in ├── 12c_pyrazole_dimBC_3B-69.in ├── 12c_pyrazole_monA_3B-69.in ├── 12c_pyrazole_monB_3B-69.in ├── 12c_pyrazole_monC_3B-69.in ├── 12c_pyrazole_trim_3B-69.in ├── 12prod1_CR20.in ├── 12prod2_CR20.in ├── 12prod_DIE60.in ├── 12react_CR20.in ├── 12react_DIE60.in ├── 130_BzBz_PD34-1p9_dim_NBC10.in ├── 131_BzBz_PD34-2p0_dim_NBC10.in ├── 132_BzBz_PD34-2p2_dim_NBC10.in ├── 133_BzBz_PD34-2p4_dim_NBC10.in ├── 133_c_W4-11.in ├── 134_BzBz_PD34-2p6_dim_NBC10.in ├── 135_BzBz_PD34-2p8_dim_NBC10.in ├── 136_BzBz_PD34-3p0_dim_NBC10.in ├── 137_BzBz_PD36-0p2_dim_NBC10.in ├── 137_BzBz_PD36-0p2_monA_NBC10.in ├── 137_BzBz_PD36-0p2_monB_NBC10.in ├── 138_BzBz_PD36-0p4_dim_NBC10.in ├── 139_BzBz_PD36-0p6_dim_NBC10.in ├── 13_120-000-SP_Pentane14.in ├── 13_BH2_TA13.in ├── 13_Benzene_H2O_2p800_BzDC215.in ├── 13_Benzene_H2O_2p900_BzDC215.in ├── 13_Benzene_H2O_3p000_BzDC215.in ├── 13_Benzene_H2O_3p100_BzDC215.in ├── 13_Benzene_H2O_3p200_BzDC215.in ├── 13_Benzene_H2O_3p250_BzDC215.in ├── 13_Benzene_H2O_3p300_BzDC215.in ├── 13_Benzene_H2O_3p350_BzDC215.in ├── 13_Benzene_H2O_3p400_BzDC215.in ├── 13_Benzene_H2O_3p500_BzDC215.in ├── 13_Benzene_H2O_3p600_BzDC215.in ├── 13_Benzene_H2O_3p700_BzDC215.in ├── 13_Benzene_H2O_3p800_BzDC215.in ├── 13_Benzene_H2O_3p900_BzDC215.in ├── 13_Benzene_H2O_4p000_BzDC215.in ├── 13_Benzene_H2O_4p250_BzDC215.in ├── 13_Benzene_H2O_4p500_BzDC215.in ├── 13_Benzene_H2O_4p750_BzDC215.in ├── 13_Benzene_H2O_5p000_BzDC215.in ├── 13_Benzene_H2O_5p500_BzDC215.in ├── 13_Benzene_H2O_6p000_BzDC215.in ├── 13_Benzene_H2O_6p500_BzDC215.in ├── 13_Benzene_H2O_7p000_BzDC215.in ├── 13_Benzene_H2O_monA_BzDC215.in ├── 13_Benzene_H2O_monB_BzDC215.in ├── 13_Br2OCH2_XB18.in ├── 13_C2H6_H2O_CH__O_dim_HW30.in ├── 13_C2H6_H2O_CH__O_monA_HW30.in ├── 13_C2H6_H2O_CH__O_monB_HW30.in ├── 13_C3-He_dim_NC15.in ├── 13_C3-He_monA_NC15.in ├── 13_C3-He_monB_NC15.in ├── 13_C8H8_Platonic24.in ├── 13_CN_HB49.in ├── 13_Cl-_BrF_dim_Bauza30.in ├── 13_Cl-_BrF_monA_Bauza30.in ├── 13_Cl-_BrF_monB_Bauza30.in ├── 13_ClF-C_dim_CT20.in ├── 13_ClF-C_monA_CT20.in ├── 13_ClF-C_monB_CT20.in ├── 13_H2O3Cl_HW6Cl.in ├── 13_H2O3Cl_mon1_HW6Cl.in ├── 13_H2O3Cl_mon2_HW6Cl.in ├── 13_H2O3Cl_mon3_HW6Cl.in ├── 13_H2O3Cl_mon4_HW6Cl.in ├── 13_H2O3F_HW6F.in ├── 13_H2O3F_mon1_HW6F.in ├── 13_H2O3F_mon2_HW6F.in ├── 13_H2O3F_mon3_HW6F.in ├── 13_H2O3F_mon4_HW6F.in ├── 13_Isomer3_FmH2O10.in ├── 13_Isomer3_Styrene45.in ├── 13_Isomer3_mon10_FmH2O10.in ├── 13_Isomer3_mon11_FmH2O10.in ├── 13_Isomer3_mon1_FmH2O10.in ├── 13_Isomer3_mon2_FmH2O10.in ├── 13_Isomer3_mon3_FmH2O10.in ├── 13_Isomer3_mon4_FmH2O10.in ├── 13_Isomer3_mon5_FmH2O10.in ├── 13_Isomer3_mon6_FmH2O10.in ├── 13_Isomer3_mon7_FmH2O10.in ├── 13_Isomer3_mon8_FmH2O10.in ├── 13_Isomer3_mon9_FmH2O10.in ├── 13_Li_AE18.in ├── 13_NCH_FCl_XB51.in ├── 13_NH3Br+_HNBrBDE18.in ├── 13_Reactant2_EIE22.in ├── 13_Rxn3_TS_0cat_WCPT27.in ├── 13_ammonia-ethene_0p9_dim_A21x12.in ├── 13_ammonia-ethene_1p0_dim_A21x12.in ├── 13_ammonia-ethene_1p1_dim_A21x12.in ├── 13_ammonia-ethene_1p2_dim_A21x12.in ├── 13_ammonia-ethene_1p4_dim_A21x12.in ├── 13_ammonia-ethene_1p6_dim_A21x12.in ├── 13_ammonia-ethene_2p0_dim_A21x12.in ├── 13_anti-boat_H2O16Rel5.in ├── 13_arg8_dim_HSG.in ├── 13_arg8_monA_HSG.in ├── 13_arg8_monB_HSG.in ├── 13_c2h5ts_BH76.in ├── 13_ch3sh_benzene_cs_dim_DS14.in ├── 13_ch3sh_benzene_cs_monA_DS14.in ├── 13_ch3sh_benzene_cs_monB_DS14.in ├── 13_isomer3_H2O20Bind10.in ├── 13_isomer3_mon10_H2O20Bind10.in ├── 13_isomer3_mon11_H2O20Bind10.in ├── 13_isomer3_mon12_H2O20Bind10.in ├── 13_isomer3_mon13_H2O20Bind10.in ├── 13_isomer3_mon14_H2O20Bind10.in ├── 13_isomer3_mon15_H2O20Bind10.in ├── 13_isomer3_mon16_H2O20Bind10.in ├── 13_isomer3_mon17_H2O20Bind10.in ├── 13_isomer3_mon18_H2O20Bind10.in ├── 13_isomer3_mon19_H2O20Bind10.in ├── 13_isomer3_mon1_H2O20Bind10.in ├── 13_isomer3_mon20_H2O20Bind10.in ├── 13_isomer3_mon2_H2O20Bind10.in ├── 13_isomer3_mon3_H2O20Bind10.in ├── 13_isomer3_mon4_H2O20Bind10.in ├── 13_isomer3_mon5_H2O20Bind10.in ├── 13_isomer3_mon6_H2O20Bind10.in ├── 13_isomer3_mon7_H2O20Bind10.in ├── 13_isomer3_mon8_H2O20Bind10.in ├── 13_isomer3_mon9_H2O20Bind10.in ├── 13_propane_Alk44.in ├── 13a_triazine_dimAB_3B-69.in ├── 13a_triazine_dimAC_3B-69.in ├── 13a_triazine_dimBC_3B-69.in ├── 13a_triazine_monA_3B-69.in ├── 13a_triazine_monB_3B-69.in ├── 13a_triazine_monC_3B-69.in ├── 13a_triazine_trim_3B-69.in ├── 13b_triazine_dimAB_3B-69.in ├── 13b_triazine_dimAC_3B-69.in ├── 13b_triazine_dimBC_3B-69.in ├── 13b_triazine_monA_3B-69.in ├── 13b_triazine_monB_3B-69.in ├── 13b_triazine_monC_3B-69.in ├── 13b_triazine_trim_3B-69.in ├── 13c_triazine_dimAB_3B-69.in ├── 13c_triazine_dimAC_3B-69.in ├── 13c_triazine_dimBC_3B-69.in ├── 13c_triazine_monA_3B-69.in ├── 13c_triazine_monB_3B-69.in ├── 13c_triazine_monC_3B-69.in ├── 13c_triazine_trim_3B-69.in ├── 13prod1_CR20.in ├── 13prod2_CR20.in ├── 13prod_DIE60.in ├── 13react_CR20.in ├── 13react_CRBH20.in ├── 13react_DIE60.in ├── 13ts_CRBH20.in ├── 140_BzBz_PD36-0p8_dim_NBC10.in ├── 141_BzBz_PD36-1p0_dim_NBC10.in ├── 142_BzBz_PD36-1p2_dim_NBC10.in ├── 143_BzBz_PD36-1p4_dim_NBC10.in ├── 144_BzBz_PD36-1p5_dim_NBC10.in ├── 145_BzBz_PD36-1p6_dim_NBC10.in ├── 146_BzBz_PD36-1p7_dim_NBC10.in ├── 147_BzBz_PD36-1p8_dim_NBC10.in ├── 148_BzBz_PD36-1p9_dim_NBC10.in ├── 149_BzBz_PD36-2p0_dim_NBC10.in ├── 14_120-070-TS_Pentane14.in ├── 14_4444-a_H2O16Rel5.in ├── 14_Be_AE18.in ├── 14_Benzene_NH3_3p000_BzDC215.in ├── 14_Benzene_NH3_3p100_BzDC215.in ├── 14_Benzene_NH3_3p200_BzDC215.in ├── 14_Benzene_NH3_3p300_BzDC215.in ├── 14_Benzene_NH3_3p400_BzDC215.in ├── 14_Benzene_NH3_3p500_BzDC215.in ├── 14_Benzene_NH3_3p550_BzDC215.in ├── 14_Benzene_NH3_3p600_BzDC215.in ├── 14_Benzene_NH3_3p650_BzDC215.in ├── 14_Benzene_NH3_3p700_BzDC215.in ├── 14_Benzene_NH3_3p800_BzDC215.in ├── 14_Benzene_NH3_3p900_BzDC215.in ├── 14_Benzene_NH3_4p000_BzDC215.in ├── 14_Benzene_NH3_4p250_BzDC215.in ├── 14_Benzene_NH3_4p500_BzDC215.in ├── 14_Benzene_NH3_4p750_BzDC215.in ├── 14_Benzene_NH3_5p000_BzDC215.in ├── 14_Benzene_NH3_5p500_BzDC215.in ├── 14_Benzene_NH3_6p000_BzDC215.in ├── 14_Benzene_NH3_6p500_BzDC215.in ├── 14_Benzene_NH3_7p000_BzDC215.in ├── 14_Benzene_NH3_monA_BzDC215.in ├── 14_Benzene_NH3_monB_BzDC215.in ├── 14_Br-_BrF_dim_Bauza30.in ├── 14_Br-_BrF_monA_Bauza30.in ├── 14_Br-_BrF_monB_Bauza30.in ├── 14_C10H10_Platonic24.in ├── 14_C20CageD2h_C20C24.in ├── 14_C2H6_H2O_OH__C_dim_HW30.in ├── 14_C2H6_H2O_OH__C_monA_HW30.in ├── 14_C2H6_H2O_OH__C_monB_HW30.in ├── 14_CH3_TA13.in ├── 14_COHF_HB49.in ├── 14_ClF-D_dim_CT20.in ├── 14_ClF-D_monA_CT20.in ├── 14_ClF-D_monB_CT20.in ├── 14_H2-CO_dim_NC15.in ├── 14_H2-CO_monA_NC15.in ├── 14_H2-CO_monB_NC15.in ├── 14_H2O4Cl_HW6Cl.in ├── 14_H2O4Cl_mon1_HW6Cl.in ├── 14_H2O4Cl_mon2_HW6Cl.in ├── 14_H2O4Cl_mon3_HW6Cl.in ├── 14_H2O4Cl_mon4_HW6Cl.in ├── 14_H2O4Cl_mon5_HW6Cl.in ├── 14_H2O4F_HW6F.in ├── 14_H2O4F_mon1_HW6F.in ├── 14_H2O4F_mon2_HW6F.in ├── 14_H2O4F_mon3_HW6F.in ├── 14_H2O4F_mon4_HW6F.in ├── 14_H2O4F_mon5_HW6F.in ├── 14_Isomer4_FmH2O10.in ├── 14_Isomer4_Styrene45.in ├── 14_Isomer4_mon10_FmH2O10.in ├── 14_Isomer4_mon11_FmH2O10.in ├── 14_Isomer4_mon1_FmH2O10.in ├── 14_Isomer4_mon2_FmH2O10.in ├── 14_Isomer4_mon3_FmH2O10.in ├── 14_Isomer4_mon4_FmH2O10.in ├── 14_Isomer4_mon5_FmH2O10.in ├── 14_Isomer4_mon6_FmH2O10.in ├── 14_Isomer4_mon7_FmH2O10.in ├── 14_Isomer4_mon8_FmH2O10.in ├── 14_Isomer4_mon9_FmH2O10.in ├── 14_NCH_NBS_XB51.in ├── 14_NH3rad+_HNBrBDE18.in ├── 14_Product2_EIE22.in ├── 14_Rxn4_TS_0cat_WCPT27.in ├── 14_ash26-asp125_dim_HSG.in ├── 14_ash26-asp125_monA_HSG.in ├── 14_ash26-asp125_monB_HSG.in ├── 14_butane_Alk44.in ├── 14_ch3sh_dimer_dim_DS14.in ├── 14_ch3sh_dimer_monA_DS14.in ├── 14_ch3sh_dimer_monB_DS14.in ├── 14_ethene-dimer_0p9_dim_A21x12.in ├── 14_ethene-dimer_1p0_dim_A21x12.in ├── 14_ethene-dimer_1p1_dim_A21x12.in ├── 14_ethene-dimer_1p2_dim_A21x12.in ├── 14_ethene-dimer_1p4_dim_A21x12.in ├── 14_ethene-dimer_1p6_dim_A21x12.in ├── 14_ethene-dimer_2p0_dim_A21x12.in ├── 14_isomer4_H2O20Bind10.in ├── 14_isomer4_mon10_H2O20Bind10.in ├── 14_isomer4_mon11_H2O20Bind10.in ├── 14_isomer4_mon12_H2O20Bind10.in ├── 14_isomer4_mon13_H2O20Bind10.in ├── 14_isomer4_mon14_H2O20Bind10.in ├── 14_isomer4_mon15_H2O20Bind10.in ├── 14_isomer4_mon16_H2O20Bind10.in ├── 14_isomer4_mon17_H2O20Bind10.in ├── 14_isomer4_mon18_H2O20Bind10.in ├── 14_isomer4_mon19_H2O20Bind10.in ├── 14_isomer4_mon1_H2O20Bind10.in ├── 14_isomer4_mon20_H2O20Bind10.in ├── 14_isomer4_mon2_H2O20Bind10.in ├── 14_isomer4_mon3_H2O20Bind10.in ├── 14_isomer4_mon4_H2O20Bind10.in ├── 14_isomer4_mon5_H2O20Bind10.in ├── 14_isomer4_mon6_H2O20Bind10.in ├── 14_isomer4_mon7_H2O20Bind10.in ├── 14_isomer4_mon8_H2O20Bind10.in ├── 14_isomer4_mon9_H2O20Bind10.in ├── 14a_cyanoacetamide_dimAB_3B-69.in ├── 14a_cyanoacetamide_dimAC_3B-69.in ├── 14a_cyanoacetamide_dimBC_3B-69.in ├── 14a_cyanoacetamide_monA_3B-69.in ├── 14a_cyanoacetamide_monB_3B-69.in ├── 14a_cyanoacetamide_monC_3B-69.in ├── 14a_cyanoacetamide_trim_3B-69.in ├── 14b_cyanoacetamide_dimAB_3B-69.in ├── 14b_cyanoacetamide_dimAC_3B-69.in ├── 14b_cyanoacetamide_dimBC_3B-69.in ├── 14b_cyanoacetamide_monA_3B-69.in ├── 14b_cyanoacetamide_monB_3B-69.in ├── 14b_cyanoacetamide_monC_3B-69.in ├── 14b_cyanoacetamide_trim_3B-69.in ├── 14c_cyanoacetamide_dimAB_3B-69.in ├── 14c_cyanoacetamide_dimAC_3B-69.in ├── 14c_cyanoacetamide_dimBC_3B-69.in ├── 14c_cyanoacetamide_monA_3B-69.in ├── 14c_cyanoacetamide_monB_3B-69.in ├── 14c_cyanoacetamide_monC_3B-69.in ├── 14c_cyanoacetamide_trim_3B-69.in ├── 14prod1_CR20.in ├── 14prod2_CR20.in ├── 14prod_DIE60.in ├── 14react_CR20.in ├── 14react_CRBH20.in ├── 14react_DIE60.in ├── 14ts_CRBH20.in ├── 150_BzBz_PD36-2p2_dim_NBC10.in ├── 151_BzBz_PD36-2p4_dim_NBC10.in ├── 152_BzBz_PD36-2p6_dim_NBC10.in ├── 153_BzBz_PD36-2p8_dim_NBC10.in ├── 154_BzBz_PD36-3p0_dim_NBC10.in ├── 155_BzBz_S-3p2_dim_NBC10.in ├── 155_BzBz_S-3p2_monA_NBC10.in ├── 155_BzBz_S-3p2_monB_NBC10.in ├── 156_BzBz_S-3p3_dim_NBC10.in ├── 157_BzBz_S-3p4_dim_NBC10.in ├── 158_BzBz_S-3p5_dim_NBC10.in ├── 159_BzBz_S-3p6_dim_NBC10.in ├── 15_120-120-SP_Pentane14.in ├── 15_4444-b_H2O16Rel5.in ├── 15_B_AE18.in ├── 15_Benzene_CH4_3p000_BzDC215.in ├── 15_Benzene_CH4_3p100_BzDC215.in ├── 15_Benzene_CH4_3p200_BzDC215.in ├── 15_Benzene_CH4_3p300_BzDC215.in ├── 15_Benzene_CH4_3p400_BzDC215.in ├── 15_Benzene_CH4_3p500_BzDC215.in ├── 15_Benzene_CH4_3p600_BzDC215.in ├── 15_Benzene_CH4_3p700_BzDC215.in ├── 15_Benzene_CH4_3p750_BzDC215.in ├── 15_Benzene_CH4_3p800_BzDC215.in ├── 15_Benzene_CH4_3p850_BzDC215.in ├── 15_Benzene_CH4_3p900_BzDC215.in ├── 15_Benzene_CH4_4p000_BzDC215.in ├── 15_Benzene_CH4_4p250_BzDC215.in ├── 15_Benzene_CH4_4p500_BzDC215.in ├── 15_Benzene_CH4_4p750_BzDC215.in ├── 15_Benzene_CH4_5p000_BzDC215.in ├── 15_Benzene_CH4_5p500_BzDC215.in ├── 15_Benzene_CH4_6p000_BzDC215.in ├── 15_Benzene_CH4_6p500_BzDC215.in ├── 15_Benzene_CH4_7p000_BzDC215.in ├── 15_Benzene_CH4_monA_BzDC215.in ├── 15_Benzene_CH4_monB_BzDC215.in ├── 15_C12H12_Platonic24.in ├── 15_C20CageD3h_C20C24.in ├── 15_C2H2_H2O_CH__O_dim_HW30.in ├── 15_C2H2_H2O_CH__O_monA_HW30.in ├── 15_C2H2_H2O_CH__O_monB_HW30.in ├── 15_CO+_TA13.in ├── 15_CO_HB49.in ├── 15_ClF-E_dim_CT20.in ├── 15_ClF-E_monA_CT20.in ├── 15_ClF-E_monB_CT20.in ├── 15_H2-H2_dim_NC15.in ├── 15_H2-H2_monA_NC15.in ├── 15_H2-H2_monB_NC15.in ├── 15_H2O5Cl_HW6Cl.in ├── 15_H2O5Cl_mon1_HW6Cl.in ├── 15_H2O5Cl_mon2_HW6Cl.in ├── 15_H2O5Cl_mon3_HW6Cl.in ├── 15_H2O5Cl_mon4_HW6Cl.in ├── 15_H2O5Cl_mon5_HW6Cl.in ├── 15_H2O5Cl_mon6_HW6Cl.in ├── 15_H2O5F_HW6F.in ├── 15_H2O5F_mon1_HW6F.in ├── 15_H2O5F_mon2_HW6F.in ├── 15_H2O5F_mon3_HW6F.in ├── 15_H2O5F_mon4_HW6F.in ├── 15_H2O5F_mon5_HW6F.in ├── 15_H2O5F_mon6_HW6F.in ├── 15_H3N_ClF_dim_Bauza30.in ├── 15_H3N_ClF_monA_Bauza30.in ├── 15_H3N_ClF_monB_Bauza30.in ├── 15_Isomer5_FmH2O10.in ├── 15_Isomer5_Styrene45.in ├── 15_Isomer5_mon10_FmH2O10.in ├── 15_Isomer5_mon11_FmH2O10.in ├── 15_Isomer5_mon1_FmH2O10.in ├── 15_Isomer5_mon2_FmH2O10.in ├── 15_Isomer5_mon3_FmH2O10.in ├── 15_Isomer5_mon4_FmH2O10.in ├── 15_Isomer5_mon5_FmH2O10.in ├── 15_Isomer5_mon6_FmH2O10.in ├── 15_Isomer5_mon7_FmH2O10.in ├── 15_Isomer5_mon8_FmH2O10.in ├── 15_Isomer5_mon9_FmH2O10.in ├── 15_MeNHBr_HNBrBDE18.in ├── 15_Reactant3_EIE22.in ├── 15_Rxn5_TS_0cat_WCPT27.in ├── 15_asp129-big_dim_HSG.in ├── 15_asp129-big_monA_HSG.in ├── 15_asp129-big_monB_HSG.in ├── 15_ch3sh_h2co_dim_DS14.in ├── 15_ch3sh_h2co_monA_DS14.in ├── 15_ch3sh_h2co_monB_DS14.in ├── 15_isomer5_H2O20Bind10.in ├── 15_isomer5_mon10_H2O20Bind10.in ├── 15_isomer5_mon11_H2O20Bind10.in ├── 15_isomer5_mon12_H2O20Bind10.in ├── 15_isomer5_mon13_H2O20Bind10.in ├── 15_isomer5_mon14_H2O20Bind10.in ├── 15_isomer5_mon15_H2O20Bind10.in ├── 15_isomer5_mon16_H2O20Bind10.in ├── 15_isomer5_mon17_H2O20Bind10.in ├── 15_isomer5_mon18_H2O20Bind10.in ├── 15_isomer5_mon19_H2O20Bind10.in ├── 15_isomer5_mon1_H2O20Bind10.in ├── 15_isomer5_mon20_H2O20Bind10.in ├── 15_isomer5_mon2_H2O20Bind10.in ├── 15_isomer5_mon3_H2O20Bind10.in ├── 15_isomer5_mon4_H2O20Bind10.in ├── 15_isomer5_mon5_H2O20Bind10.in ├── 15_isomer5_mon6_H2O20Bind10.in ├── 15_isomer5_mon7_H2O20Bind10.in ├── 15_isomer5_mon8_H2O20Bind10.in ├── 15_isomer5_mon9_H2O20Bind10.in ├── 15_methane-ethene_0p9_dim_A21x12.in ├── 15_methane-ethene_1p0_dim_A21x12.in ├── 15_methane-ethene_1p1_dim_A21x12.in ├── 15_methane-ethene_1p2_dim_A21x12.in ├── 15_methane-ethene_1p4_dim_A21x12.in ├── 15_methane-ethene_1p6_dim_A21x12.in ├── 15_methane-ethene_2p0_dim_A21x12.in ├── 15_pentane_Alk44.in ├── 15a_cyanoguanidine_dimAB_3B-69.in ├── 15a_cyanoguanidine_dimAC_3B-69.in ├── 15a_cyanoguanidine_dimBC_3B-69.in ├── 15a_cyanoguanidine_monA_3B-69.in ├── 15a_cyanoguanidine_monB_3B-69.in ├── 15a_cyanoguanidine_monC_3B-69.in ├── 15a_cyanoguanidine_trim_3B-69.in ├── 15b_cyanoguanidine_dimAB_3B-69.in ├── 15b_cyanoguanidine_dimAC_3B-69.in ├── 15b_cyanoguanidine_dimBC_3B-69.in ├── 15b_cyanoguanidine_monA_3B-69.in ├── 15b_cyanoguanidine_monB_3B-69.in ├── 15b_cyanoguanidine_monC_3B-69.in ├── 15b_cyanoguanidine_trim_3B-69.in ├── 15c_cyanoguanidine_dimAB_3B-69.in ├── 15c_cyanoguanidine_dimAC_3B-69.in ├── 15c_cyanoguanidine_dimBC_3B-69.in ├── 15c_cyanoguanidine_monA_3B-69.in ├── 15c_cyanoguanidine_monB_3B-69.in ├── 15c_cyanoguanidine_monC_3B-69.in ├── 15c_cyanoguanidine_trim_3B-69.in ├── 15prod1_CR20.in ├── 15prod2_CR20.in ├── 15prod_DIE60.in ├── 15react_CR20.in ├── 15react_CRBH20.in ├── 15react_DIE60.in ├── 15ts_CRBH20.in ├── 160_BzBz_S-3p7_dim_NBC10.in ├── 161_BzBz_S-3p8_dim_NBC10.in ├── 162_BzBz_S-3p9_dim_NBC10.in ├── 163_BzBz_S-4p0_dim_NBC10.in ├── 164_BzBz_S-4p1_dim_NBC10.in ├── 165_BzBz_S-4p2_dim_NBC10.in ├── 166_BzBz_S-4p5_dim_NBC10.in ├── 167_BzBz_S-5p0_dim_NBC10.in ├── 168_BzBz_S-5p5_dim_NBC10.in ├── 169_BzBz_S-6p0_dim_NBC10.in ├── 16_180-000-TS_Pentane14.in ├── 16_Benzene_Ar_3p000_BzDC215.in ├── 16_Benzene_Ar_3p100_BzDC215.in ├── 16_Benzene_Ar_3p200_BzDC215.in ├── 16_Benzene_Ar_3p300_BzDC215.in ├── 16_Benzene_Ar_3p400_BzDC215.in ├── 16_Benzene_Ar_3p450_BzDC215.in ├── 16_Benzene_Ar_3p500_BzDC215.in ├── 16_Benzene_Ar_3p525_BzDC215.in ├── 16_Benzene_Ar_3p550_BzDC215.in ├── 16_Benzene_Ar_3p600_BzDC215.in ├── 16_Benzene_Ar_3p700_BzDC215.in ├── 16_Benzene_Ar_3p800_BzDC215.in ├── 16_Benzene_Ar_3p900_BzDC215.in ├── 16_Benzene_Ar_4p000_BzDC215.in ├── 16_Benzene_Ar_4p250_BzDC215.in ├── 16_Benzene_Ar_4p500_BzDC215.in ├── 16_Benzene_Ar_4p750_BzDC215.in ├── 16_Benzene_Ar_5p000_BzDC215.in ├── 16_Benzene_Ar_5p500_BzDC215.in ├── 16_Benzene_Ar_6p000_BzDC215.in ├── 16_Benzene_Ar_7p000_BzDC215.in ├── 16_Benzene_Ar_monA_BzDC215.in ├── 16_Benzene_Ar_monB_BzDC215.in ├── 16_C20H20_Platonic24.in ├── 16_C20RingC10h_C20C24.in ├── 16_C2H2_H2O_CH__Op_dim_HW30.in ├── 16_C2H2_H2O_CH__Op_monA_HW30.in ├── 16_C2H2_H2O_CH__Op_monB_HW30.in ├── 16_C_AE18.in ├── 16_FHNH3_HB49.in ├── 16_H2-HCl_dim_NC15.in ├── 16_H2-HCl_monA_NC15.in ├── 16_H2-HCl_monB_NC15.in ├── 16_H2O6Cl_HW6Cl.in ├── 16_H2O6Cl_mon1_HW6Cl.in ├── 16_H2O6Cl_mon2_HW6Cl.in ├── 16_H2O6Cl_mon3_HW6Cl.in ├── 16_H2O6Cl_mon4_HW6Cl.in ├── 16_H2O6Cl_mon5_HW6Cl.in ├── 16_H2O6Cl_mon6_HW6Cl.in ├── 16_H2O6Cl_mon7_HW6Cl.in ├── 16_H2O6F_HW6F.in ├── 16_H2O6F_mon1_HW6F.in ├── 16_H2O6F_mon2_HW6F.in ├── 16_H2O6F_mon3_HW6F.in ├── 16_H2O6F_mon4_HW6F.in ├── 16_H2O6F_mon5_HW6F.in ├── 16_H2O6F_mon6_HW6F.in ├── 16_H2O6F_mon7_HW6F.in ├── 16_H3N_BrF_dim_Bauza30.in ├── 16_H3N_BrF_monA_Bauza30.in ├── 16_H3N_BrF_monB_Bauza30.in ├── 16_HF-A_dim_CT20.in ├── 16_HF-A_monA_CT20.in ├── 16_HF-A_monB_CT20.in ├── 16_Isomer6_FmH2O10.in ├── 16_Isomer6_Styrene45.in ├── 16_Isomer6_mon10_FmH2O10.in ├── 16_Isomer6_mon11_FmH2O10.in ├── 16_Isomer6_mon1_FmH2O10.in ├── 16_Isomer6_mon2_FmH2O10.in ├── 16_Isomer6_mon3_FmH2O10.in ├── 16_Isomer6_mon4_FmH2O10.in ├── 16_Isomer6_mon5_FmH2O10.in ├── 16_Isomer6_mon6_FmH2O10.in ├── 16_Isomer6_mon7_FmH2O10.in ├── 16_Isomer6_mon8_FmH2O10.in ├── 16_Isomer6_mon9_FmH2O10.in ├── 16_MeNHrad_HNBrBDE18.in ├── 16_NCH_PhBr_XB51.in ├── 16_NH2_TA13.in ├── 16_Product3_EIE22.in ├── 16_Rxn6_TS_0cat_WCPT27.in ├── 16_asp130_dim_HSG.in ├── 16_asp130_monA_HSG.in ├── 16_asp130_monB_HSG.in ├── 16_borane-methane_0p9_dim_A21x12.in ├── 16_borane-methane_1p0_dim_A21x12.in ├── 16_borane-methane_1p1_dim_A21x12.in ├── 16_borane-methane_1p2_dim_A21x12.in ├── 16_borane-methane_1p4_dim_A21x12.in ├── 16_borane-methane_1p6_dim_A21x12.in ├── 16_borane-methane_2p0_dim_A21x12.in ├── 16_ch3sh_h2o_cs_dim_DS14.in ├── 16_ch3sh_h2o_cs_monA_DS14.in ├── 16_ch3sh_h2o_cs_monB_DS14.in ├── 16_hexane_Alk44.in ├── 16_isomer6_H2O20Bind10.in ├── 16_isomer6_mon10_H2O20Bind10.in ├── 16_isomer6_mon11_H2O20Bind10.in ├── 16_isomer6_mon12_H2O20Bind10.in ├── 16_isomer6_mon13_H2O20Bind10.in ├── 16_isomer6_mon14_H2O20Bind10.in ├── 16_isomer6_mon15_H2O20Bind10.in ├── 16_isomer6_mon16_H2O20Bind10.in ├── 16_isomer6_mon17_H2O20Bind10.in ├── 16_isomer6_mon18_H2O20Bind10.in ├── 16_isomer6_mon19_H2O20Bind10.in ├── 16_isomer6_mon1_H2O20Bind10.in ├── 16_isomer6_mon20_H2O20Bind10.in ├── 16_isomer6_mon2_H2O20Bind10.in ├── 16_isomer6_mon3_H2O20Bind10.in ├── 16_isomer6_mon4_H2O20Bind10.in ├── 16_isomer6_mon5_H2O20Bind10.in ├── 16_isomer6_mon6_H2O20Bind10.in ├── 16_isomer6_mon7_H2O20Bind10.in ├── 16_isomer6_mon8_H2O20Bind10.in ├── 16_isomer6_mon9_H2O20Bind10.in ├── 16a_triazolidinedione_dimAB_3B-69.in ├── 16a_triazolidinedione_dimAC_3B-69.in ├── 16a_triazolidinedione_dimBC_3B-69.in ├── 16a_triazolidinedione_monA_3B-69.in ├── 16a_triazolidinedione_monB_3B-69.in ├── 16a_triazolidinedione_monC_3B-69.in ├── 16a_triazolidinedione_trim_3B-69.in ├── 16b_triazolidinedione_dimAB_3B-69.in ├── 16b_triazolidinedione_dimAC_3B-69.in ├── 16b_triazolidinedione_dimBC_3B-69.in ├── 16b_triazolidinedione_monA_3B-69.in ├── 16b_triazolidinedione_monB_3B-69.in ├── 16b_triazolidinedione_monC_3B-69.in ├── 16b_triazolidinedione_trim_3B-69.in ├── 16c_triazolidinedione_dimAB_3B-69.in ├── 16c_triazolidinedione_dimAC_3B-69.in ├── 16c_triazolidinedione_dimBC_3B-69.in ├── 16c_triazolidinedione_monA_3B-69.in ├── 16c_triazolidinedione_monB_3B-69.in ├── 16c_triazolidinedione_monC_3B-69.in ├── 16c_triazolidinedione_trim_3B-69.in ├── 16prod1_CR20.in ├── 16prod2_CR20.in ├── 16prod_DIE60.in ├── 16react_CR20.in ├── 16react_CRBH20.in ├── 16react_DIE60.in ├── 16ts_CRBH20.in ├── 170_BzBz_S-6p5_dim_NBC10.in ├── 171_BzBz_S-10p0_dim_NBC10.in ├── 172_BzBz_T-4p4_dim_NBC10.in ├── 172_BzBz_T-4p4_monA_NBC10.in ├── 172_BzBz_T-4p4_monB_NBC10.in ├── 173_BzBz_T-4p5_dim_NBC10.in ├── 174_BzBz_T-4p6_dim_NBC10.in ├── 175_BzBz_T-4p7_dim_NBC10.in ├── 176_BzBz_T-4p8_dim_NBC10.in ├── 177_BzBz_T-4p9_dim_NBC10.in ├── 178_BzBz_T-5p0_dim_NBC10.in ├── 179_BzBz_T-5p1_dim_NBC10.in ├── 17_240-070-TS_Pentane14.in ├── 17_Benzene_HCl_3p100_BzDC215.in ├── 17_Benzene_HCl_3p200_BzDC215.in ├── 17_Benzene_HCl_3p300_BzDC215.in ├── 17_Benzene_HCl_3p400_BzDC215.in ├── 17_Benzene_HCl_3p500_BzDC215.in ├── 17_Benzene_HCl_3p550_BzDC215.in ├── 17_Benzene_HCl_3p600_BzDC215.in ├── 17_Benzene_HCl_3p650_BzDC215.in ├── 17_Benzene_HCl_3p700_BzDC215.in ├── 17_Benzene_HCl_3p800_BzDC215.in ├── 17_Benzene_HCl_3p900_BzDC215.in ├── 17_Benzene_HCl_4p000_BzDC215.in ├── 17_Benzene_HCl_4p250_BzDC215.in ├── 17_Benzene_HCl_4p500_BzDC215.in ├── 17_Benzene_HCl_4p750_BzDC215.in ├── 17_Benzene_HCl_5p000_BzDC215.in ├── 17_Benzene_HCl_5p500_BzDC215.in ├── 17_Benzene_HCl_6p000_BzDC215.in ├── 17_Benzene_HCl_6p500_BzDC215.in ├── 17_Benzene_HCl_7p000_BzDC215.in ├── 17_Benzene_HCl_monA_BzDC215.in ├── 17_Benzene_HCl_monB_BzDC215.in ├── 17_C24CageOh_C20C24.in ├── 17_C2H2_H2O_OH__pi_dim_HW30.in ├── 17_C2H2_H2O_OH__pi_monA_HW30.in ├── 17_C2H2_H2O_OH__pi_monB_HW30.in ├── 17_Cl-_SF2_dim_Bauza30.in ├── 17_Cl-_SF2_monA_Bauza30.in ├── 17_Cl-_SF2_monB_Bauza30.in ├── 17_ClBr_XB18.in ├── 17_H2-HF_dim_NC15.in ├── 17_H2-HF_monA_NC15.in ├── 17_H2-HF_monB_NC15.in ├── 17_H2OH2O_HB49.in ├── 17_HF-B_dim_CT20.in ├── 17_HF-B_monA_CT20.in ├── 17_HF-B_monB_CT20.in ├── 17_H_Platonic24.in ├── 17_Isomer7_FmH2O10.in ├── 17_Isomer7_Styrene45.in ├── 17_Isomer7_mon10_FmH2O10.in ├── 17_Isomer7_mon11_FmH2O10.in ├── 17_Isomer7_mon1_FmH2O10.in ├── 17_Isomer7_mon2_FmH2O10.in ├── 17_Isomer7_mon3_FmH2O10.in ├── 17_Isomer7_mon4_FmH2O10.in ├── 17_Isomer7_mon5_FmH2O10.in ├── 17_Isomer7_mon6_FmH2O10.in ├── 17_Isomer7_mon7_FmH2O10.in ├── 17_Isomer7_mon8_FmH2O10.in ├── 17_Isomer7_mon9_FmH2O10.in ├── 17_MeNH2Br+_HNBrBDE18.in ├── 17_NH3+_TA13.in ├── 17_N_AE18.in ├── 17_Reactant4_EIE22.in ├── 17_Rxn7_TS_0cat_WCPT27.in ├── 17_ch3sh_nh3_cs_dim_DS14.in ├── 17_ch3sh_nh3_cs_monA_DS14.in ├── 17_ch3sh_nh3_cs_monB_DS14.in ├── 17_gly28-big_dim_HSG.in ├── 17_gly28-big_monA_HSG.in ├── 17_gly28-big_monB_HSG.in ├── 17_heptane_Alk44.in ├── 17_isomer7_H2O20Bind10.in ├── 17_isomer7_mon10_H2O20Bind10.in ├── 17_isomer7_mon11_H2O20Bind10.in ├── 17_isomer7_mon12_H2O20Bind10.in ├── 17_isomer7_mon13_H2O20Bind10.in ├── 17_isomer7_mon14_H2O20Bind10.in ├── 17_isomer7_mon15_H2O20Bind10.in ├── 17_isomer7_mon16_H2O20Bind10.in ├── 17_isomer7_mon17_H2O20Bind10.in ├── 17_isomer7_mon18_H2O20Bind10.in ├── 17_isomer7_mon19_H2O20Bind10.in ├── 17_isomer7_mon1_H2O20Bind10.in ├── 17_isomer7_mon20_H2O20Bind10.in ├── 17_isomer7_mon2_H2O20Bind10.in ├── 17_isomer7_mon3_H2O20Bind10.in ├── 17_isomer7_mon4_H2O20Bind10.in ├── 17_isomer7_mon5_H2O20Bind10.in ├── 17_isomer7_mon6_H2O20Bind10.in ├── 17_isomer7_mon7_H2O20Bind10.in ├── 17_isomer7_mon8_H2O20Bind10.in ├── 17_isomer7_mon9_H2O20Bind10.in ├── 17_methane-ethane_0p9_dim_A21x12.in ├── 17_methane-ethane_1p0_dim_A21x12.in ├── 17_methane-ethane_1p1_dim_A21x12.in ├── 17_methane-ethane_1p2_dim_A21x12.in ├── 17_methane-ethane_1p4_dim_A21x12.in ├── 17_methane-ethane_1p6_dim_A21x12.in ├── 17_methane-ethane_2p0_dim_A21x12.in ├── 17a_oxazolidinone_dimAB_3B-69.in ├── 17a_oxazolidinone_dimAC_3B-69.in ├── 17a_oxazolidinone_dimBC_3B-69.in ├── 17a_oxazolidinone_monA_3B-69.in ├── 17a_oxazolidinone_monB_3B-69.in ├── 17a_oxazolidinone_monC_3B-69.in ├── 17a_oxazolidinone_trim_3B-69.in ├── 17b_oxazolidinone_dimAB_3B-69.in ├── 17b_oxazolidinone_dimAC_3B-69.in ├── 17b_oxazolidinone_dimBC_3B-69.in ├── 17b_oxazolidinone_monA_3B-69.in ├── 17b_oxazolidinone_monB_3B-69.in ├── 17b_oxazolidinone_monC_3B-69.in ├── 17b_oxazolidinone_trim_3B-69.in ├── 17c_oxazolidinone_dimAB_3B-69.in ├── 17c_oxazolidinone_dimAC_3B-69.in ├── 17c_oxazolidinone_dimBC_3B-69.in ├── 17c_oxazolidinone_monA_3B-69.in ├── 17c_oxazolidinone_monB_3B-69.in ├── 17c_oxazolidinone_monC_3B-69.in ├── 17c_oxazolidinone_trim_3B-69.in ├── 17prod1_CR20.in ├── 17prod2_CR20.in ├── 17prod_DIE60.in ├── 17react_CR20.in ├── 17react_CRBH20.in ├── 17react_DIE60.in ├── 17ts_CRBH20.in ├── 180_BzBz_T-5p2_dim_NBC10.in ├── 181_BzBz_T-5p3_dim_NBC10.in ├── 182_BzBz_T-5p4_dim_NBC10.in ├── 183_BzBz_T-5p5_dim_NBC10.in ├── 184_BzBz_T-5p6_dim_NBC10.in ├── 185_BzBz_T-6p0_dim_NBC10.in ├── 186_BzBz_T-6p5_dim_NBC10.in ├── 187_BzBz_T-7p0_dim_NBC10.in ├── 188_BzBz_T-7p5_dim_NBC10.in ├── 189_BzBz_T-8p0_dim_NBC10.in ├── 189_h_W4-11.in ├── 18_240-120-SP_Pentane14.in ├── 18_Benzene_H2S_3p200_BzDC215.in ├── 18_Benzene_H2S_3p300_BzDC215.in ├── 18_Benzene_H2S_3p400_BzDC215.in ├── 18_Benzene_H2S_3p500_BzDC215.in ├── 18_Benzene_H2S_3p600_BzDC215.in ├── 18_Benzene_H2S_3p650_BzDC215.in ├── 18_Benzene_H2S_3p700_BzDC215.in ├── 18_Benzene_H2S_3p750_BzDC215.in ├── 18_Benzene_H2S_3p800_BzDC215.in ├── 18_Benzene_H2S_3p850_BzDC215.in ├── 18_Benzene_H2S_3p900_BzDC215.in ├── 18_Benzene_H2S_4p000_BzDC215.in ├── 18_Benzene_H2S_4p100_BzDC215.in ├── 18_Benzene_H2S_4p200_BzDC215.in ├── 18_Benzene_H2S_4p300_BzDC215.in ├── 18_Benzene_H2S_4p500_BzDC215.in ├── 18_Benzene_H2S_4p750_BzDC215.in ├── 18_Benzene_H2S_5p000_BzDC215.in ├── 18_Benzene_H2S_5p250_BzDC215.in ├── 18_Benzene_H2S_5p500_BzDC215.in ├── 18_Benzene_H2S_6p000_BzDC215.in ├── 18_Benzene_H2S_6p500_BzDC215.in ├── 18_Benzene_H2S_7p000_BzDC215.in ├── 18_Benzene_H2S_monA_BzDC215.in ├── 18_Benzene_H2S_monB_BzDC215.in ├── 18_Br-_SF2_dim_Bauza30.in ├── 18_Br-_SF2_monA_Bauza30.in ├── 18_Br-_SF2_monB_Bauza30.in ├── 18_C24CageD3d_C20C24.in ├── 18_C2H2_H2O_OH2__pi_dim_HW30.in ├── 18_C2H2_H2O_OH2__pi_monA_HW30.in ├── 18_C2H2_H2O_OH2__pi_monB_HW30.in ├── 18_C_Platonic24.in ├── 18_ClBrNCH_XB18.in ├── 18_H2ONH3_HB49.in ├── 18_HF-C_dim_CT20.in ├── 18_HF-C_monA_CT20.in ├── 18_HF-C_monB_CT20.in ├── 18_Isomer8_FmH2O10.in ├── 18_Isomer8_Styrene45.in ├── 18_Isomer8_mon10_FmH2O10.in ├── 18_Isomer8_mon11_FmH2O10.in ├── 18_Isomer8_mon1_FmH2O10.in ├── 18_Isomer8_mon2_FmH2O10.in ├── 18_Isomer8_mon3_FmH2O10.in ├── 18_Isomer8_mon4_FmH2O10.in ├── 18_Isomer8_mon5_FmH2O10.in ├── 18_Isomer8_mon6_FmH2O10.in ├── 18_Isomer8_mon7_FmH2O10.in ├── 18_Isomer8_mon8_FmH2O10.in ├── 18_Isomer8_mon9_FmH2O10.in ├── 18_MeNH2rad+_HNBrBDE18.in ├── 18_OH_TA13.in ├── 18_O_AE18.in ├── 18_Product4_EIE22.in ├── 18_Rxn8_TS_0cat_WCPT27.in ├── 18_formamide_ch3sh_dim_DS14.in ├── 18_formamide_ch3sh_monA_DS14.in ├── 18_formamide_ch3sh_monB_DS14.in ├── 18_gly50-ring-big_dim_HSG.in ├── 18_gly50-ring-big_monA_HSG.in ├── 18_gly50-ring-big_monB_HSG.in ├── 18_isomer8_H2O20Bind10.in ├── 18_isomer8_mon10_H2O20Bind10.in ├── 18_isomer8_mon11_H2O20Bind10.in ├── 18_isomer8_mon12_H2O20Bind10.in ├── 18_isomer8_mon13_H2O20Bind10.in ├── 18_isomer8_mon14_H2O20Bind10.in ├── 18_isomer8_mon15_H2O20Bind10.in ├── 18_isomer8_mon16_H2O20Bind10.in ├── 18_isomer8_mon17_H2O20Bind10.in ├── 18_isomer8_mon18_H2O20Bind10.in ├── 18_isomer8_mon19_H2O20Bind10.in ├── 18_isomer8_mon1_H2O20Bind10.in ├── 18_isomer8_mon20_H2O20Bind10.in ├── 18_isomer8_mon2_H2O20Bind10.in ├── 18_isomer8_mon3_H2O20Bind10.in ├── 18_isomer8_mon4_H2O20Bind10.in ├── 18_isomer8_mon5_H2O20Bind10.in ├── 18_isomer8_mon6_H2O20Bind10.in ├── 18_isomer8_mon7_H2O20Bind10.in ├── 18_isomer8_mon8_H2O20Bind10.in ├── 18_isomer8_mon9_H2O20Bind10.in ├── 18_methane-ethane_0p9_dim_A21x12.in ├── 18_methane-ethane_1p0_dim_A21x12.in ├── 18_methane-ethane_1p1_dim_A21x12.in ├── 18_methane-ethane_1p2_dim_A21x12.in ├── 18_methane-ethane_1p4_dim_A21x12.in ├── 18_methane-ethane_1p6_dim_A21x12.in ├── 18_methane-ethane_2p0_dim_A21x12.in ├── 18_octane_Alk44.in ├── 18a_succinic_anhydride_dimAB_3B-69.in ├── 18a_succinic_anhydride_dimAC_3B-69.in ├── 18a_succinic_anhydride_dimBC_3B-69.in ├── 18a_succinic_anhydride_monA_3B-69.in ├── 18a_succinic_anhydride_monB_3B-69.in ├── 18a_succinic_anhydride_monC_3B-69.in ├── 18a_succinic_anhydride_trim_3B-69.in ├── 18b_succinic_anhydride_dimAB_3B-69.in ├── 18b_succinic_anhydride_dimAC_3B-69.in ├── 18b_succinic_anhydride_dimBC_3B-69.in ├── 18b_succinic_anhydride_monA_3B-69.in ├── 18b_succinic_anhydride_monB_3B-69.in ├── 18b_succinic_anhydride_monC_3B-69.in ├── 18b_succinic_anhydride_trim_3B-69.in ├── 18c_succinic_anhydride_dimAB_3B-69.in ├── 18c_succinic_anhydride_dimAC_3B-69.in ├── 18c_succinic_anhydride_dimBC_3B-69.in ├── 18c_succinic_anhydride_monA_3B-69.in ├── 18c_succinic_anhydride_monB_3B-69.in ├── 18c_succinic_anhydride_monC_3B-69.in ├── 18c_succinic_anhydride_trim_3B-69.in ├── 18prod1_CR20.in ├── 18prod2_CR20.in ├── 18prod_DIE60.in ├── 18react_CR20.in ├── 18react_CRBH20.in ├── 18react_DIE60.in ├── 18ts_CRBH20.in ├── 190_BzH2S-3p2_dim_NBC10.in ├── 190_BzH2S-3p2_monA_NBC10.in ├── 190_BzH2S-3p2_monB_NBC10.in ├── 191_BzH2S-3p4_dim_NBC10.in ├── 192_BzH2S-3p5_dim_NBC10.in ├── 193_BzH2S-3p6_dim_NBC10.in ├── 194_BzH2S-3p7_dim_NBC10.in ├── 195_BzH2S-3p8_dim_NBC10.in ├── 196_BzH2S-3p9_dim_NBC10.in ├── 197_BzH2S-4p0_dim_NBC10.in ├── 198_BzH2S-4p1_dim_NBC10.in ├── 199_BzH2S-4p2_dim_NBC10.in ├── 19_240-180-TS_Pentane14.in ├── 19_Benzene_PH3_3p400_BzDC215.in ├── 19_Benzene_PH3_3p500_BzDC215.in ├── 19_Benzene_PH3_3p600_BzDC215.in ├── 19_Benzene_PH3_3p700_BzDC215.in ├── 19_Benzene_PH3_3p800_BzDC215.in ├── 19_Benzene_PH3_3p900_BzDC215.in ├── 19_Benzene_PH3_4p000_BzDC215.in ├── 19_Benzene_PH3_4p050_BzDC215.in ├── 19_Benzene_PH3_4p100_BzDC215.in ├── 19_Benzene_PH3_4p200_BzDC215.in ├── 19_Benzene_PH3_4p300_BzDC215.in ├── 19_Benzene_PH3_4p400_BzDC215.in ├── 19_Benzene_PH3_4p500_BzDC215.in ├── 19_Benzene_PH3_4p750_BzDC215.in ├── 19_Benzene_PH3_5p000_BzDC215.in ├── 19_Benzene_PH3_5p250_BzDC215.in ├── 19_Benzene_PH3_5p500_BzDC215.in ├── 19_Benzene_PH3_6p000_BzDC215.in ├── 19_Benzene_PH3_6p500_BzDC215.in ├── 19_Benzene_PH3_7p000_BzDC215.in ├── 19_Benzene_PH3_monA_BzDC215.in ├── 19_Benzene_PH3_monB_BzDC215.in ├── 19_C24CoronaD6h_C20C24.in ├── 19_C4H2_H2O_CH__O_dim_HW30.in ├── 19_C4H2_H2O_CH__O_monA_HW30.in ├── 19_C4H2_H2O_CH__O_monB_HW30.in ├── 19_Cl-_SeF2_dim_Bauza30.in ├── 19_Cl-_SeF2_monA_Bauza30.in ├── 19_Cl-_SeF2_monB_Bauza30.in ├── 19_ClBrOCH2_XB18.in ├── 19_F_AE18.in ├── 19_H2O-Al_TA13.in ├── 19_H2O_HB49.in ├── 19_H2_Platonic24.in ├── 19_HF-D_dim_CT20.in ├── 19_HF-D_monA_CT20.in ├── 19_HF-D_monB_CT20.in ├── 19_He-H2_dim_NC15.in ├── 19_He-H2_monA_NC15.in ├── 19_He-H2_monB_NC15.in ├── 19_Isomer9_FmH2O10.in ├── 19_Isomer9_Styrene45.in ├── 19_Isomer9_mon10_FmH2O10.in ├── 19_Isomer9_mon11_FmH2O10.in ├── 19_Isomer9_mon1_FmH2O10.in ├── 19_Isomer9_mon2_FmH2O10.in ├── 19_Isomer9_mon3_FmH2O10.in ├── 19_Isomer9_mon4_FmH2O10.in ├── 19_Isomer9_mon5_FmH2O10.in ├── 19_Isomer9_mon6_FmH2O10.in ├── 19_Isomer9_mon7_FmH2O10.in ├── 19_Isomer9_mon8_FmH2O10.in ├── 19_Isomer9_mon9_FmH2O10.in ├── 19_Me2NBr_HNBrBDE18.in ├── 19_NH3_FBr_XB51.in ├── 19_Reactant5_EIE22.in ├── 19_Rxn9_TS_0cat_WCPT27.in ├── 19_gly50-v1_dim_HSG.in ├── 19_gly50-v1_monA_HSG.in ├── 19_gly50-v1_monB_HSG.in ├── 19_h2o_ch3sch3_cs_dim_DS14.in ├── 19_h2o_ch3sch3_cs_monA_DS14.in ├── 19_h2o_ch3sch3_cs_monB_DS14.in ├── 19_isobutane_Alk44.in ├── 19_isomer9_H2O20Bind10.in ├── 19_isomer9_mon10_H2O20Bind10.in ├── 19_isomer9_mon11_H2O20Bind10.in ├── 19_isomer9_mon12_H2O20Bind10.in ├── 19_isomer9_mon13_H2O20Bind10.in ├── 19_isomer9_mon14_H2O20Bind10.in ├── 19_isomer9_mon15_H2O20Bind10.in ├── 19_isomer9_mon16_H2O20Bind10.in ├── 19_isomer9_mon17_H2O20Bind10.in ├── 19_isomer9_mon18_H2O20Bind10.in ├── 19_isomer9_mon19_H2O20Bind10.in ├── 19_isomer9_mon1_H2O20Bind10.in ├── 19_isomer9_mon20_H2O20Bind10.in ├── 19_isomer9_mon2_H2O20Bind10.in ├── 19_isomer9_mon3_H2O20Bind10.in ├── 19_isomer9_mon4_H2O20Bind10.in ├── 19_isomer9_mon5_H2O20Bind10.in ├── 19_isomer9_mon6_H2O20Bind10.in ├── 19_isomer9_mon7_H2O20Bind10.in ├── 19_isomer9_mon8_H2O20Bind10.in ├── 19_isomer9_mon9_H2O20Bind10.in ├── 19a_benzene_dimAB_3B-69.in ├── 19a_benzene_dimAC_3B-69.in ├── 19a_benzene_dimBC_3B-69.in ├── 19a_benzene_monA_3B-69.in ├── 19a_benzene_monB_3B-69.in ├── 19a_benzene_monC_3B-69.in ├── 19a_benzene_trim_3B-69.in ├── 19b_benzene_dimAB_3B-69.in ├── 19b_benzene_dimAC_3B-69.in ├── 19b_benzene_dimBC_3B-69.in ├── 19b_benzene_monA_3B-69.in ├── 19b_benzene_monB_3B-69.in ├── 19b_benzene_monC_3B-69.in ├── 19b_benzene_trim_3B-69.in ├── 19c_benzene_dimAB_3B-69.in ├── 19c_benzene_dimAC_3B-69.in ├── 19c_benzene_dimBC_3B-69.in ├── 19c_benzene_monA_3B-69.in ├── 19c_benzene_monB_3B-69.in ├── 19c_benzene_monC_3B-69.in ├── 19c_benzene_trim_3B-69.in ├── 19prod1_CR20.in ├── 19prod2_CR20.in ├── 19prod_DIE60.in ├── 19react_CR20.in ├── 19react_CRBH20.in ├── 19react_DIE60.in ├── 19ts_CRBH20.in ├── 1prod1_CR20.in ├── 1prod2_CR20.in ├── 1prod_DIE60.in ├── 1react_CR20.in ├── 1react_DIE60.in ├── 200_BzH2S-4p5_dim_NBC10.in ├── 201_BzH2S-4p75_dim_NBC10.in ├── 202_BzH2S-5p0_dim_NBC10.in ├── 203_BzH2S-5p25_dim_NBC10.in ├── 204_BzH2S-5p5_dim_NBC10.in ├── 205_BzH2S-6p0_dim_NBC10.in ├── 206_BzH2S-6p5_dim_NBC10.in ├── 207_BzH2S-7p0_dim_NBC10.in ├── 208_BzH2S-7p5_dim_NBC10.in ├── 209_BzMe-3p2_dim_NBC10.in ├── 209_BzMe-3p2_monA_NBC10.in ├── 209_BzMe-3p2_monB_NBC10.in ├── 20_280-080-TS_Pentane14.in ├── 20_Ar-methane_0p9_dim_A21x12.in ├── 20_Ar-methane_1p0_dim_A21x12.in ├── 20_Ar-methane_1p1_dim_A21x12.in ├── 20_Ar-methane_1p2_dim_A21x12.in ├── 20_Ar-methane_1p4_dim_A21x12.in ├── 20_Ar-methane_1p6_dim_A21x12.in ├── 20_Ar-methane_2p0_dim_A21x12.in ├── 20_Benzene_SiH4_3p600_BzDC215.in ├── 20_Benzene_SiH4_3p700_BzDC215.in ├── 20_Benzene_SiH4_3p800_BzDC215.in ├── 20_Benzene_SiH4_3p900_BzDC215.in ├── 20_Benzene_SiH4_4p000_BzDC215.in ├── 20_Benzene_SiH4_4p100_BzDC215.in ├── 20_Benzene_SiH4_4p150_BzDC215.in ├── 20_Benzene_SiH4_4p200_BzDC215.in ├── 20_Benzene_SiH4_4p250_BzDC215.in ├── 20_Benzene_SiH4_4p300_BzDC215.in ├── 20_Benzene_SiH4_4p400_BzDC215.in ├── 20_Benzene_SiH4_4p500_BzDC215.in ├── 20_Benzene_SiH4_4p750_BzDC215.in ├── 20_Benzene_SiH4_5p000_BzDC215.in ├── 20_Benzene_SiH4_5p250_BzDC215.in ├── 20_Benzene_SiH4_5p500_BzDC215.in ├── 20_Benzene_SiH4_6p000_BzDC215.in ├── 20_Benzene_SiH4_6p500_BzDC215.in ├── 20_Benzene_SiH4_7p000_BzDC215.in ├── 20_Benzene_SiH4_monA_BzDC215.in ├── 20_Benzene_SiH4_monB_BzDC215.in ├── 20_Br-_SeF2_dim_Bauza30.in ├── 20_Br-_SeF2_monA_Bauza30.in ├── 20_Br-_SeF2_monB_Bauza30.in ├── 20_C24RingC12h_C20C24.in ├── 20_C4H2_H2O_CH__Op_dim_HW30.in ├── 20_C4H2_H2O_CH__Op_monA_HW30.in ├── 20_C4H2_H2O_CH__Op_monB_HW30.in ├── 20_CH4_Platonic24.in ├── 20_H2O-Be+_TA13.in ├── 20_H3OH2O_HB49.in ├── 20_HF-E_dim_CT20.in ├── 20_HF-E_monA_CT20.in ├── 20_HF-E_monB_CT20.in ├── 20_Isomer10_FmH2O10.in ├── 20_Isomer10_Styrene45.in ├── 20_Isomer10_mon10_FmH2O10.in ├── 20_Isomer10_mon11_FmH2O10.in ├── 20_Isomer10_mon1_FmH2O10.in ├── 20_Isomer10_mon2_FmH2O10.in ├── 20_Isomer10_mon3_FmH2O10.in ├── 20_Isomer10_mon4_FmH2O10.in ├── 20_Isomer10_mon5_FmH2O10.in ├── 20_Isomer10_mon6_FmH2O10.in ├── 20_Isomer10_mon7_FmH2O10.in ├── 20_Isomer10_mon8_FmH2O10.in ├── 20_Isomer10_mon9_FmH2O10.in ├── 20_Me2Nrad_HNBrBDE18.in ├── 20_NH3_FCl_XB51.in ├── 20_Ne_AE18.in ├── 20_Product5_EIE22.in ├── 20_Rxn1_TS_1cat_WCPT27.in ├── 20_ch3f_BH76.in ├── 20_gly127_dim_HSG.in ├── 20_gly127_monA_HSG.in ├── 20_gly127_monB_HSG.in ├── 20_h2o_dimer_cs_dim_DS14.in ├── 20_h2o_dimer_cs_monA_DS14.in ├── 20_h2o_dimer_cs_monB_DS14.in ├── 20_isomer10_H2O20Bind10.in ├── 20_isomer10_mon10_H2O20Bind10.in ├── 20_isomer10_mon11_H2O20Bind10.in ├── 20_isomer10_mon12_H2O20Bind10.in ├── 20_isomer10_mon13_H2O20Bind10.in ├── 20_isomer10_mon14_H2O20Bind10.in ├── 20_isomer10_mon15_H2O20Bind10.in ├── 20_isomer10_mon16_H2O20Bind10.in ├── 20_isomer10_mon17_H2O20Bind10.in ├── 20_isomer10_mon18_H2O20Bind10.in ├── 20_isomer10_mon19_H2O20Bind10.in ├── 20_isomer10_mon1_H2O20Bind10.in ├── 20_isomer10_mon20_H2O20Bind10.in ├── 20_isomer10_mon2_H2O20Bind10.in ├── 20_isomer10_mon3_H2O20Bind10.in ├── 20_isomer10_mon4_H2O20Bind10.in ├── 20_isomer10_mon5_H2O20Bind10.in ├── 20_isomer10_mon6_H2O20Bind10.in ├── 20_isomer10_mon7_H2O20Bind10.in ├── 20_isomer10_mon8_H2O20Bind10.in ├── 20_isomer10_mon9_H2O20Bind10.in ├── 20_isopentane_Alk44.in ├── 20a_maleic_acid_dimAB_3B-69.in ├── 20a_maleic_acid_dimAC_3B-69.in ├── 20a_maleic_acid_dimBC_3B-69.in ├── 20a_maleic_acid_monA_3B-69.in ├── 20a_maleic_acid_monB_3B-69.in ├── 20a_maleic_acid_monC_3B-69.in ├── 20a_maleic_acid_trim_3B-69.in ├── 20b_maleic_acid_dimAB_3B-69.in ├── 20b_maleic_acid_dimAC_3B-69.in ├── 20b_maleic_acid_dimBC_3B-69.in ├── 20b_maleic_acid_monA_3B-69.in ├── 20b_maleic_acid_monB_3B-69.in ├── 20b_maleic_acid_monC_3B-69.in ├── 20b_maleic_acid_trim_3B-69.in ├── 20c_maleic_acid_dimAB_3B-69.in ├── 20c_maleic_acid_dimAC_3B-69.in ├── 20c_maleic_acid_dimBC_3B-69.in ├── 20c_maleic_acid_monA_3B-69.in ├── 20c_maleic_acid_monB_3B-69.in ├── 20c_maleic_acid_monC_3B-69.in ├── 20c_maleic_acid_trim_3B-69.in ├── 20prod1_CR20.in ├── 20prod2_CR20.in ├── 20prod_DIE60.in ├── 20react_CR20.in ├── 20react_DIE60.in ├── 210_BzMe-3p3_dim_NBC10.in ├── 211_BzMe-3p4_dim_NBC10.in ├── 212_BzMe-3p5_dim_NBC10.in ├── 213_BzMe-3p6_dim_NBC10.in ├── 214_BzMe-3p7_dim_NBC10.in ├── 215_BzMe-3p8_dim_NBC10.in ├── 216_BzMe-3p9_dim_NBC10.in ├── 217_BzMe-4p0_dim_NBC10.in ├── 218_BzMe-4p1_dim_NBC10.in ├── 219_BzMe-4p2_dim_NBC10.in ├── 21_Ar-ethene_0p9_dim_A21x12.in ├── 21_Ar-ethene_1p0_dim_A21x12.in ├── 21_Ar-ethene_1p1_dim_A21x12.in ├── 21_Ar-ethene_1p2_dim_A21x12.in ├── 21_Ar-ethene_1p4_dim_A21x12.in ├── 21_Ar-ethene_1p6_dim_A21x12.in ├── 21_Ar-ethene_2p0_dim_A21x12.in ├── 21_C2H6_Platonic24.in ├── 21_C4H2_H2O_OH__pi_dim_HW30.in ├── 21_C4H2_H2O_OH__pi_monA_HW30.in ├── 21_C4H2_H2O_OH__pi_monB_HW30.in ├── 21_GG_Pentane14.in ├── 21_H2O-Br_TA13.in ├── 21_H3N_SF2_dim_Bauza30.in ├── 21_H3N_SF2_monA_Bauza30.in ├── 21_H3N_SF2_monB_Bauza30.in ├── 21_H3O_HB49.in ├── 21_HNC-A_dim_CT20.in ├── 21_HNC-A_monA_CT20.in ├── 21_HNC-A_monB_CT20.in ├── 21_He-LiH_dim_NC15.in ├── 21_He-LiH_monA_NC15.in ├── 21_He-LiH_monB_NC15.in ├── 21_Isomer11_Styrene45.in ├── 21_Me2NHBr+_HNBrBDE18.in ├── 21_NH3_NBS_XB51.in ├── 21_Na_AE18.in ├── 21_Reactant6_EIE22.in ├── 21_Rxn2_TS_1cat_WCPT27.in ├── 21_ch3fclts_BH76.in ├── 21_gly148_dim_HSG.in ├── 21_gly148_monA_HSG.in ├── 21_gly148_monB_HSG.in ├── 21_h2o_h2s_cs_dim_DS14.in ├── 21_h2o_h2s_cs_monA_DS14.in ├── 21_h2o_h2s_cs_monB_DS14.in ├── 21_isohexane_Alk44.in ├── 21a_p-benzoquinone_dimAB_3B-69.in ├── 21a_p-benzoquinone_dimAC_3B-69.in ├── 21a_p-benzoquinone_dimBC_3B-69.in ├── 21a_p-benzoquinone_monA_3B-69.in ├── 21a_p-benzoquinone_monB_3B-69.in ├── 21a_p-benzoquinone_monC_3B-69.in ├── 21a_p-benzoquinone_trim_3B-69.in ├── 21b_p-benzoquinone_dimAB_3B-69.in ├── 21b_p-benzoquinone_dimAC_3B-69.in ├── 21b_p-benzoquinone_dimBC_3B-69.in ├── 21b_p-benzoquinone_monA_3B-69.in ├── 21b_p-benzoquinone_monB_3B-69.in ├── 21b_p-benzoquinone_monC_3B-69.in ├── 21b_p-benzoquinone_trim_3B-69.in ├── 21c_p-benzoquinone_dimAB_3B-69.in ├── 21c_p-benzoquinone_dimAC_3B-69.in ├── 21c_p-benzoquinone_dimBC_3B-69.in ├── 21c_p-benzoquinone_monA_3B-69.in ├── 21c_p-benzoquinone_monB_3B-69.in ├── 21c_p-benzoquinone_monC_3B-69.in ├── 21c_p-benzoquinone_trim_3B-69.in ├── 21prod_DIE60.in ├── 21react_DIE60.in ├── 220_BzMe-4p4_dim_NBC10.in ├── 221_BzMe-4p6_dim_NBC10.in ├── 222_BzMe-4p8_dim_NBC10.in ├── 223_BzMe-5p0_dim_NBC10.in ├── 224_BzMe-5p2_dim_NBC10.in ├── 225_BzMe-5p4_dim_NBC10.in ├── 226_BzMe-5p6_dim_NBC10.in ├── 227_BzMe-6p0_dim_NBC10.in ├── 228_MeMe-3p2_dim_NBC10.in ├── 228_MeMe-3p2_monA_NBC10.in ├── 228_MeMe-3p2_monB_NBC10.in ├── 229_MeMe-3p3_dim_NBC10.in ├── 22_C4H10_Platonic24.in ├── 22_C4H2_H2O_OH2__pi_dim_HW30.in ├── 22_C4H2_H2O_OH2__pi_monA_HW30.in ├── 22_C4H2_H2O_OH2__pi_monB_HW30.in ├── 22_GX-_Pentane14.in ├── 22_H3N_SeF2_dim_Bauza30.in ├── 22_H3N_SeF2_monA_Bauza30.in ├── 22_H3N_SeF2_monB_Bauza30.in ├── 22_HCCH2O_HB49.in ├── 22_HNC-B_dim_CT20.in ├── 22_HNC-B_monA_CT20.in ├── 22_HNC-B_monB_CT20.in ├── 22_HOH-CH3_TA13.in ├── 22_Isomer12_Styrene45.in ├── 22_Me2NHrad+_HNBrBDE18.in ├── 22_Mg_AE18.in ├── 22_N2-N2_D2h_dim_NC15.in ├── 22_N2-N2_D2h_monA_NC15.in ├── 22_N2-N2_D2h_monB_NC15.in ├── 22_Product6_EIE22.in ├── 22_Rxn3_TS_1cat_WCPT27.in ├── 22_ch3_lower_BH76.in ├── 22_h2s_ch4_dim_DS14.in ├── 22_h2s_ch4_monA_DS14.in ├── 22_h2s_ch4_monB_DS14.in ├── 22_ile48-big_dim_HSG.in ├── 22_ile48-big_monA_HSG.in ├── 22_ile48-big_monB_HSG.in ├── 22_isoheptane_Alk44.in ├── 22a_uracil_dimAB_3B-69.in ├── 22a_uracil_dimAC_3B-69.in ├── 22a_uracil_dimBC_3B-69.in ├── 22a_uracil_monA_3B-69.in ├── 22a_uracil_monB_3B-69.in ├── 22a_uracil_monC_3B-69.in ├── 22a_uracil_trim_3B-69.in ├── 22b_uracil_dimAB_3B-69.in ├── 22b_uracil_dimAC_3B-69.in ├── 22b_uracil_dimBC_3B-69.in ├── 22b_uracil_monA_3B-69.in ├── 22b_uracil_monB_3B-69.in ├── 22b_uracil_monC_3B-69.in ├── 22b_uracil_trim_3B-69.in ├── 22c_uracil_dimAB_3B-69.in ├── 22c_uracil_dimAC_3B-69.in ├── 22c_uracil_dimBC_3B-69.in ├── 22c_uracil_monA_3B-69.in ├── 22c_uracil_monB_3B-69.in ├── 22c_uracil_monC_3B-69.in ├── 22c_uracil_trim_3B-69.in ├── 22prod_DIE60.in ├── 22react_DIE60.in ├── 230_MeMe-3p4_dim_NBC10.in ├── 231_MeMe-3p5_dim_NBC10.in ├── 232_MeMe-3p6_dim_NBC10.in ├── 233_MeMe-3p7_dim_NBC10.in ├── 234_MeMe-3p8_dim_NBC10.in ├── 235_MeMe-3p9_dim_NBC10.in ├── 236_MeMe-4p0_dim_NBC10.in ├── 237_MeMe-4p1_dim_NBC10.in ├── 238_MeMe-4p2_dim_NBC10.in ├── 239_MeMe-4p3_dim_NBC10.in ├── 23_Al_AE18.in ├── 23_C2H4_H2O_OH__pi_dim_HW30.in ├── 23_C2H4_H2O_OH__pi_monA_HW30.in ├── 23_C2H4_H2O_OH__pi_monB_HW30.in ├── 23_Cl-_S_CF2_dim_Bauza30.in ├── 23_Cl-_S_CF2_monA_Bauza30.in ├── 23_Cl-_S_CF2_monB_Bauza30.in ├── 23_F3CNHBr_HNBrBDE18.in ├── 23_FBr_XB18.in ├── 23_H2O-Cl_TA13.in ├── 23_HCC_HB49.in ├── 23_HNC-C_dim_CT20.in ├── 23_HNC-C_monA_CT20.in ├── 23_HNC-C_monB_CT20.in ├── 23_Isomer13_Styrene45.in ├── 23_N2-N2_dim_NC15.in ├── 23_N2-N2_monA_NC15.in ├── 23_N2-N2_monB_NC15.in ├── 23_NH3_PhBr_XB51.in ├── 23_Reactant7_EIE22.in ├── 23_Rxn4_TS_1cat_WCPT27.in ├── 23_TG_Pentane14.in ├── 23_ch3oh_lower_BH76.in ├── 23_h2s_dimer_cs_dim_DS14.in ├── 23_h2s_dimer_cs_monA_DS14.in ├── 23_h2s_dimer_cs_monB_DS14.in ├── 23_ile147_dim_HSG.in ├── 23_ile147_monA_HSG.in ├── 23_ile147_monB_HSG.in ├── 23_isooctane_Alk44.in ├── 23a_cyclobutylfuran_dimAB_3B-69.in ├── 23a_cyclobutylfuran_dimAC_3B-69.in ├── 23a_cyclobutylfuran_dimBC_3B-69.in ├── 23a_cyclobutylfuran_monA_3B-69.in ├── 23a_cyclobutylfuran_monB_3B-69.in ├── 23a_cyclobutylfuran_monC_3B-69.in ├── 23a_cyclobutylfuran_trim_3B-69.in ├── 23b_cyclobutylfuran_dimAB_3B-69.in ├── 23b_cyclobutylfuran_dimAC_3B-69.in ├── 23b_cyclobutylfuran_dimBC_3B-69.in ├── 23b_cyclobutylfuran_monA_3B-69.in ├── 23b_cyclobutylfuran_monB_3B-69.in ├── 23b_cyclobutylfuran_monC_3B-69.in ├── 23b_cyclobutylfuran_trim_3B-69.in ├── 23c_cyclobutylfuran_dimAB_3B-69.in ├── 23c_cyclobutylfuran_dimAC_3B-69.in ├── 23c_cyclobutylfuran_dimBC_3B-69.in ├── 23c_cyclobutylfuran_monA_3B-69.in ├── 23c_cyclobutylfuran_monB_3B-69.in ├── 23c_cyclobutylfuran_monC_3B-69.in ├── 23c_cyclobutylfuran_trim_3B-69.in ├── 23prod_DIE60.in ├── 23react_DIE60.in ├── 240_MeMe-4p4_dim_NBC10.in ├── 241_MeMe-4p6_dim_NBC10.in ├── 242_MeMe-4p8_dim_NBC10.in ├── 243_MeMe-5p0_dim_NBC10.in ├── 244_MeMe-5p4_dim_NBC10.in ├── 245_MeMe-5p8_dim_NBC10.in ├── 246_PyPy_S2-3p1_dim_NBC10.in ├── 246_PyPy_S2-3p1_monA_NBC10.in ├── 246_PyPy_S2-3p1_monB_NBC10.in ├── 247_PyPy_S2-3p3_dim_NBC10.in ├── 248_PyPy_S2-3p4_dim_NBC10.in ├── 249_PyPy_S2-3p5_dim_NBC10.in ├── 24_Br-_S_CF2_dim_Bauza30.in ├── 24_Br-_S_CF2_monA_Bauza30.in ├── 24_Br-_S_CF2_monB_Bauza30.in ├── 24_C2H4_H2O_CH2__O_dim_HW30.in ├── 24_C2H4_H2O_CH2__O_monA_HW30.in ├── 24_C2H4_H2O_CH2__O_monB_HW30.in ├── 24_CH3_upper_BH76.in ├── 24_F3CNHrad_HNBrBDE18.in ├── 24_FBrNCH_XB18.in ├── 24_H2O-F_TA13.in ├── 24_HCLHCL_HB49.in ├── 24_HNC-D_dim_CT20.in ├── 24_HNC-D_monA_CT20.in ├── 24_HNC-D_monB_CT20.in ├── 24_Isomer14_Styrene45.in ├── 24_Ne-HF_dim_NC15.in ├── 24_Ne-HF_monA_NC15.in ├── 24_Ne-HF_monB_NC15.in ├── 24_Product7_EIE22.in ├── 24_Rxn5_TS_1cat_WCPT27.in ├── 24_Si_AE18.in ├── 24_TT_Pentane14.in ├── 24_h2s_h2o_cs_dim_DS14.in ├── 24_h2s_h2o_cs_monA_DS14.in ├── 24_h2s_h2o_cs_monB_DS14.in ├── 24_ile150-big_dim_HSG.in ├── 24_ile150-big_monA_HSG.in ├── 24_ile150-big_monB_HSG.in ├── 24_neopentane_Alk44.in ├── 24prod_DIE60.in ├── 24react_DIE60.in ├── 250_PyPy_S2-3p6_dim_NBC10.in ├── 251_PyPy_S2-3p7_dim_NBC10.in ├── 252_PyPy_S2-3p8_dim_NBC10.in ├── 253_PyPy_S2-3p9_dim_NBC10.in ├── 254_PyPy_S2-4p0_dim_NBC10.in ├── 255_PyPy_S2-4p1_dim_NBC10.in ├── 256_PyPy_S2-4p2_dim_NBC10.in ├── 257_PyPy_S2-4p3_dim_NBC10.in ├── 258_PyPy_S2-4p4_dim_NBC10.in ├── 259_PyPy_S2-4p5_dim_NBC10.in ├── 25_C2H4_H2O_CH2__Opi_dim_HW30.in ├── 25_C2H4_H2O_CH2__Opi_monA_HW30.in ├── 25_C2H4_H2O_CH2__Opi_monB_HW30.in ├── 25_CH4_BH76.in ├── 25_Cl-_Se_CF2_dim_Bauza30.in ├── 25_Cl-_Se_CF2_monA_Bauza30.in ├── 25_Cl-_Se_CF2_monB_Bauza30.in ├── 25_FBrOCH2_XB18.in ├── 25_H2O-Li_TA13.in ├── 25_HCL_HB49.in ├── 25_HNC-E_dim_CT20.in ├── 25_HNC-E_monA_CT20.in ├── 25_HNC-E_monB_CT20.in ├── 25_Isomer15_Styrene45.in ├── 25_N-BrImidazole_HNBrBDE18.in ├── 25_P_AE18.in ├── 25_Reactant8_EIE22.in ├── 25_Rxn6_TS_1cat_WCPT27.in ├── 25_ile184_dim_HSG.in ├── 25_ile184_monA_HSG.in ├── 25_ile184_monB_HSG.in ├── 25_neohexane_Alk44.in ├── 25prod_DIE60.in ├── 25react_DIE60.in ├── 260_PyPy_S2-4p7_dim_NBC10.in ├── 261_PyPy_S2-5p0_dim_NBC10.in ├── 262_PyPy_S2-5p5_dim_NBC10.in ├── 263_PyPy_S2-6p0_dim_NBC10.in ├── 264_PyPy_S2-6p5_dim_NBC10.in ├── 265_PyPy_S2-7p0_dim_NBC10.in ├── 266_PyPy_T3-4p1_dim_NBC10.in ├── 266_PyPy_T3-4p1_monA_NBC10.in ├── 266_PyPy_T3-4p1_monB_NBC10.in ├── 267_PyPy_T3-4p3_dim_NBC10.in ├── 268_PyPy_T3-4p5_dim_NBC10.in ├── 2699_01WaterWater090_dim_S66x8.in ├── 269_PyPy_T3-4p6_dim_NBC10.in ├── 26_Br-_Se_CF2_dim_Bauza30.in ├── 26_Br-_Se_CF2_monA_Bauza30.in ├── 26_Br-_Se_CF2_monB_Bauza30.in ├── 26_C4H6_H2O_CH__O_dim_HW30.in ├── 26_C4H6_H2O_CH__O_monA_HW30.in ├── 26_C4H6_H2O_CH__O_monB_HW30.in ├── 26_H2O-HNH2+_TA13.in ├── 26_HCN-A_dim_CT20.in ├── 26_HCN-A_monA_CT20.in ├── 26_HCN-A_monB_CT20.in ├── 26_HCN_HB49.in ├── 26_ImidazoleNrad_HNBrBDE18.in ├── 26_Isomer16_Styrene45.in ├── 26_PCH_FBr_XB51.in ├── 26_Product8_EIE22.in ├── 26_Rxn7_TS_1cat_WCPT27.in ├── 26_S_AE18.in ├── 26_leu23-big_dim_HSG.in ├── 26_leu23-big_monA_HSG.in ├── 26_leu23-big_monB_HSG.in ├── 26_neoheptane_Alk44.in ├── 26prod_DIE60.in ├── 26react_DIE60.in ├── 2700_01WaterWater095_dim_S66x8.in ├── 2701_01WaterWater100_dim_S66x8.in ├── 2702_01WaterWater105_dim_S66x8.in ├── 2703_01WaterWater110_dim_S66x8.in ├── 2704_01WaterWater125_dim_S66x8.in ├── 2705_01WaterWater150_dim_S66x8.in ├── 2706_01WaterWater200_dim_S66x8.in ├── 2707_02WaterMeOH090_dim_S66x8.in ├── 2708_02WaterMeOH095_dim_S66x8.in ├── 2709_02WaterMeOH100_dim_S66x8.in ├── 270_PyPy_T3-4p7_dim_NBC10.in ├── 2710_02WaterMeOH105_dim_S66x8.in ├── 2711_02WaterMeOH110_dim_S66x8.in ├── 2712_02WaterMeOH125_dim_S66x8.in ├── 2713_02WaterMeOH150_dim_S66x8.in ├── 2714_02WaterMeOH200_dim_S66x8.in ├── 2715_03WaterMeNH2090_dim_S66x8.in ├── 2716_03WaterMeNH2095_dim_S66x8.in ├── 2717_03WaterMeNH2100_dim_S66x8.in ├── 2718_03WaterMeNH2105_dim_S66x8.in ├── 2719_03WaterMeNH2110_dim_S66x8.in ├── 271_PyPy_T3-4p8_dim_NBC10.in ├── 2720_03WaterMeNH2125_dim_S66x8.in ├── 2721_03WaterMeNH2150_dim_S66x8.in ├── 2722_03WaterMeNH2200_dim_S66x8.in ├── 2723_04WaterPeptide090_dim_S66x8.in ├── 2724_04WaterPeptide095_dim_S66x8.in ├── 2725_04WaterPeptide100_dim_S66x8.in ├── 2726_04WaterPeptide105_dim_S66x8.in ├── 2727_04WaterPeptide110_dim_S66x8.in ├── 2728_04WaterPeptide125_dim_S66x8.in ├── 2729_04WaterPeptide150_dim_S66x8.in ├── 272_PyPy_T3-4p9_dim_NBC10.in ├── 2730_04WaterPeptide200_dim_S66x8.in ├── 2731_05MeOHMeOH090_dim_S66x8.in ├── 2732_05MeOHMeOH095_dim_S66x8.in ├── 2733_05MeOHMeOH100_dim_S66x8.in ├── 2734_05MeOHMeOH105_dim_S66x8.in ├── 2735_05MeOHMeOH110_dim_S66x8.in ├── 2736_05MeOHMeOH125_dim_S66x8.in ├── 2737_05MeOHMeOH150_dim_S66x8.in ├── 2738_05MeOHMeOH200_dim_S66x8.in ├── 2739_06MeOHMeNH2090_dim_S66x8.in ├── 273_PyPy_T3-5p0_dim_NBC10.in ├── 2740_06MeOHMeNH2095_dim_S66x8.in ├── 2741_06MeOHMeNH2100_dim_S66x8.in ├── 2742_06MeOHMeNH2105_dim_S66x8.in ├── 2743_06MeOHMeNH2110_dim_S66x8.in ├── 2744_06MeOHMeNH2125_dim_S66x8.in ├── 2745_06MeOHMeNH2150_dim_S66x8.in ├── 2746_06MeOHMeNH2200_dim_S66x8.in ├── 2747_07MeOHPeptide090_dim_S66x8.in ├── 2748_07MeOHPeptide095_dim_S66x8.in ├── 2749_07MeOHPeptide100_dim_S66x8.in ├── 274_PyPy_T3-5p1_dim_NBC10.in ├── 2750_07MeOHPeptide105_dim_S66x8.in ├── 2751_07MeOHPeptide110_dim_S66x8.in ├── 2752_07MeOHPeptide125_dim_S66x8.in ├── 2753_07MeOHPeptide150_dim_S66x8.in ├── 2754_07MeOHPeptide200_dim_S66x8.in ├── 2755_08MeOHWater090_dim_S66x8.in ├── 2756_08MeOHWater095_dim_S66x8.in ├── 2757_08MeOHWater100_dim_S66x8.in ├── 2758_08MeOHWater105_dim_S66x8.in ├── 2759_08MeOHWater110_dim_S66x8.in ├── 275_PyPy_T3-5p2_dim_NBC10.in ├── 2760_08MeOHWater125_dim_S66x8.in ├── 2761_08MeOHWater150_dim_S66x8.in ├── 2762_08MeOHWater200_dim_S66x8.in ├── 2763_09MeNH2MeOH090_dim_S66x8.in ├── 2764_09MeNH2MeOH095_dim_S66x8.in ├── 2765_09MeNH2MeOH100_dim_S66x8.in ├── 2766_09MeNH2MeOH105_dim_S66x8.in ├── 2767_09MeNH2MeOH110_dim_S66x8.in ├── 2768_09MeNH2MeOH125_dim_S66x8.in ├── 2769_09MeNH2MeOH150_dim_S66x8.in ├── 276_PyPy_T3-5p3_dim_NBC10.in ├── 2770_09MeNH2MeOH200_dim_S66x8.in ├── 2771_10MeNH2MeNH2090_dim_S66x8.in ├── 2772_10MeNH2MeNH2095_dim_S66x8.in ├── 2773_10MeNH2MeNH2100_dim_S66x8.in ├── 2774_10MeNH2MeNH2105_dim_S66x8.in ├── 2775_10MeNH2MeNH2110_dim_S66x8.in ├── 2776_10MeNH2MeNH2125_dim_S66x8.in ├── 2777_10MeNH2MeNH2150_dim_S66x8.in ├── 2778_10MeNH2MeNH2200_dim_S66x8.in ├── 2779_11MeNH2Peptide090_dim_S66x8.in ├── 277_PyPy_T3-5p4_dim_NBC10.in ├── 2780_11MeNH2Peptide095_dim_S66x8.in ├── 2781_11MeNH2Peptide100_dim_S66x8.in ├── 2782_11MeNH2Peptide105_dim_S66x8.in ├── 2783_11MeNH2Peptide110_dim_S66x8.in ├── 2784_11MeNH2Peptide125_dim_S66x8.in ├── 2785_11MeNH2Peptide150_dim_S66x8.in ├── 2786_11MeNH2Peptide200_dim_S66x8.in ├── 2787_12MeNH2Water090_dim_S66x8.in ├── 2788_12MeNH2Water095_dim_S66x8.in ├── 2789_12MeNH2Water100_dim_S66x8.in ├── 278_PyPy_T3-5p5_dim_NBC10.in ├── 2790_12MeNH2Water105_dim_S66x8.in ├── 2791_12MeNH2Water110_dim_S66x8.in ├── 2792_12MeNH2Water125_dim_S66x8.in ├── 2793_12MeNH2Water150_dim_S66x8.in ├── 2794_12MeNH2Water200_dim_S66x8.in ├── 2795_13PeptideMeOH090_dim_S66x8.in ├── 2796_13PeptideMeOH095_dim_S66x8.in ├── 2797_13PeptideMeOH100_dim_S66x8.in ├── 2798_13PeptideMeOH105_dim_S66x8.in ├── 2799_13PeptideMeOH110_dim_S66x8.in ├── 279_PyPy_T3-5p7_dim_NBC10.in ├── 27_3methylpentane_Alk44.in ├── 27_C4H6_H2O_CH2__O_dim_HW30.in ├── 27_C4H6_H2O_CH2__O_monA_HW30.in ├── 27_C4H6_H2O_CH2__O_monB_HW30.in ├── 27_Cl_AE18.in ├── 27_H2O-NH3+_TA13.in ├── 27_H3N_S_CF2_dim_Bauza30.in ├── 27_H3N_S_CF2_monA_Bauza30.in ├── 27_H3N_S_CF2_monB_Bauza30.in ├── 27_HCN-B_dim_CT20.in ├── 27_HCN-B_monA_CT20.in ├── 27_HCN-B_monB_CT20.in ├── 27_HFHF_HB49.in ├── 27_Isomer17_Styrene45.in ├── 27_N-BrPyrrole_HNBrBDE18.in ├── 27_PCH_FCl_XB51.in ├── 27_Reactant9_EIE22.in ├── 27_Rxn8_TS_1cat_WCPT27.in ├── 27_clch3clcomp_BH76.in ├── 27_pro181_dim_HSG.in ├── 27_pro181_monA_HSG.in ├── 27_pro181_monB_HSG.in ├── 27prod_DIE60.in ├── 27react_DIE60.in ├── 2800_13PeptideMeOH125_dim_S66x8.in ├── 2801_13PeptideMeOH150_dim_S66x8.in ├── 2802_13PeptideMeOH200_dim_S66x8.in ├── 2803_14PeptideMeNH2090_dim_S66x8.in ├── 2804_14PeptideMeNH2095_dim_S66x8.in ├── 2805_14PeptideMeNH2100_dim_S66x8.in ├── 2806_14PeptideMeNH2105_dim_S66x8.in ├── 2807_14PeptideMeNH2110_dim_S66x8.in ├── 2808_14PeptideMeNH2125_dim_S66x8.in ├── 2809_14PeptideMeNH2150_dim_S66x8.in ├── 280_PyPy_T3-6p0_dim_NBC10.in ├── 2810_14PeptideMeNH2200_dim_S66x8.in ├── 2811_15PeptidePeptide090_dim_S66x8.in ├── 2812_15PeptidePeptide095_dim_S66x8.in ├── 2813_15PeptidePeptide100_dim_S66x8.in ├── 2814_15PeptidePeptide105_dim_S66x8.in ├── 2815_15PeptidePeptide110_dim_S66x8.in ├── 2816_15PeptidePeptide125_dim_S66x8.in ├── 2817_15PeptidePeptide150_dim_S66x8.in ├── 2818_15PeptidePeptide200_dim_S66x8.in ├── 2819_16PeptideWater090_dim_S66x8.in ├── 281_PyPy_T3-6p5_dim_NBC10.in ├── 2820_16PeptideWater095_dim_S66x8.in ├── 2821_16PeptideWater100_dim_S66x8.in ├── 2822_16PeptideWater105_dim_S66x8.in ├── 2823_16PeptideWater110_dim_S66x8.in ├── 2824_16PeptideWater125_dim_S66x8.in ├── 2825_16PeptideWater150_dim_S66x8.in ├── 2826_16PeptideWater200_dim_S66x8.in ├── 2827_17UracilUracilBP090_dim_S66x8.in ├── 2828_17UracilUracilBP095_dim_S66x8.in ├── 2829_17UracilUracilBP100_dim_S66x8.in ├── 282_PyPy_T3-7p0_dim_NBC10.in ├── 2830_17UracilUracilBP105_dim_S66x8.in ├── 2831_17UracilUracilBP110_dim_S66x8.in ├── 2832_17UracilUracilBP125_dim_S66x8.in ├── 2833_17UracilUracilBP150_dim_S66x8.in ├── 2834_17UracilUracilBP200_dim_S66x8.in ├── 2835_18WaterPyridine090_dim_S66x8.in ├── 2836_18WaterPyridine095_dim_S66x8.in ├── 2837_18WaterPyridine100_dim_S66x8.in ├── 2838_18WaterPyridine105_dim_S66x8.in ├── 2839_18WaterPyridine110_dim_S66x8.in ├── 283_PyPy_T3-8p0_dim_NBC10.in ├── 2840_18WaterPyridine125_dim_S66x8.in ├── 2841_18WaterPyridine150_dim_S66x8.in ├── 2842_18WaterPyridine200_dim_S66x8.in ├── 2843_19MeOHPyridine090_dim_S66x8.in ├── 2844_19MeOHPyridine095_dim_S66x8.in ├── 2845_19MeOHPyridine100_dim_S66x8.in ├── 2846_19MeOHPyridine105_dim_S66x8.in ├── 2847_19MeOHPyridine110_dim_S66x8.in ├── 2848_19MeOHPyridine125_dim_S66x8.in ├── 2849_19MeOHPyridine150_dim_S66x8.in ├── 284_PyPy_T3-9p0_dim_NBC10.in ├── 2850_19MeOHPyridine200_dim_S66x8.in ├── 2851_20AcOHAcOH090_dim_S66x8.in ├── 2852_20AcOHAcOH095_dim_S66x8.in ├── 2853_20AcOHAcOH100_dim_S66x8.in ├── 2854_20AcOHAcOH105_dim_S66x8.in ├── 2855_20AcOHAcOH110_dim_S66x8.in ├── 2856_20AcOHAcOH125_dim_S66x8.in ├── 2857_20AcOHAcOH150_dim_S66x8.in ├── 2858_20AcOHAcOH200_dim_S66x8.in ├── 2859_21AcNH2AcNH2090_dim_S66x8.in ├── 2860_21AcNH2AcNH2095_dim_S66x8.in ├── 2861_21AcNH2AcNH2100_dim_S66x8.in ├── 2862_21AcNH2AcNH2105_dim_S66x8.in ├── 2863_21AcNH2AcNH2110_dim_S66x8.in ├── 2864_21AcNH2AcNH2125_dim_S66x8.in ├── 2865_21AcNH2AcNH2150_dim_S66x8.in ├── 2866_21AcNH2AcNH2200_dim_S66x8.in ├── 2867_22AcOHUracil090_dim_S66x8.in ├── 2868_22AcOHUracil095_dim_S66x8.in ├── 2869_22AcOHUracil100_dim_S66x8.in ├── 2870_22AcOHUracil105_dim_S66x8.in ├── 2871_22AcOHUracil110_dim_S66x8.in ├── 2872_22AcOHUracil125_dim_S66x8.in ├── 2873_22AcOHUracil150_dim_S66x8.in ├── 2874_22AcOHUracil200_dim_S66x8.in ├── 2875_23AcNH2Uracil090_dim_S66x8.in ├── 2876_23AcNH2Uracil095_dim_S66x8.in ├── 2877_23AcNH2Uracil100_dim_S66x8.in ├── 2878_23AcNH2Uracil105_dim_S66x8.in ├── 2879_23AcNH2Uracil110_dim_S66x8.in ├── 2880_23AcNH2Uracil125_dim_S66x8.in ├── 2881_23AcNH2Uracil150_dim_S66x8.in ├── 2882_23AcNH2Uracil200_dim_S66x8.in ├── 2883_24BenzeneBenzenepipi090_dim_S66x8.in ├── 2884_24BenzeneBenzenepipi095_dim_S66x8.in ├── 2885_24BenzeneBenzenepipi100_dim_S66x8.in ├── 2886_24BenzeneBenzenepipi105_dim_S66x8.in ├── 2887_24BenzeneBenzenepipi110_dim_S66x8.in ├── 2888_24BenzeneBenzenepipi125_dim_S66x8.in ├── 2889_24BenzeneBenzenepipi150_dim_S66x8.in ├── 2890_24BenzeneBenzenepipi200_dim_S66x8.in ├── 2891_25PyridinePyridinepipi090_dim_S66x8.in ├── 2892_25PyridinePyridinepipi095_dim_S66x8.in ├── 2893_25PyridinePyridinepipi100_dim_S66x8.in ├── 2894_25PyridinePyridinepipi105_dim_S66x8.in ├── 2895_25PyridinePyridinepipi110_dim_S66x8.in ├── 2896_25PyridinePyridinepipi125_dim_S66x8.in ├── 2897_25PyridinePyridinepipi150_dim_S66x8.in ├── 2898_25PyridinePyridinepipi200_dim_S66x8.in ├── 2899_26UracilUracilpipi090_dim_S66x8.in ├── 28_Ar_AE18.in ├── 28_C4H6_H2O_OH__pi_dim_HW30.in ├── 28_C4H6_H2O_OH__pi_monA_HW30.in ├── 28_C4H6_H2O_OH__pi_monB_HW30.in ├── 28_FH-BH2_TA13.in ├── 28_H3N_Se_CF2_dim_Bauza30.in ├── 28_H3N_Se_CF2_monA_Bauza30.in ├── 28_H3N_Se_CF2_monB_Bauza30.in ├── 28_HCN-C_dim_CT20.in ├── 28_HCN-C_monA_CT20.in ├── 28_HCN-C_monB_CT20.in ├── 28_HFH2O_HB49.in ├── 28_Isomer18_Styrene45.in ├── 28_PCH_NBS_XB51.in ├── 28_Product9_EIE22.in ├── 28_PyrroleNrad_HNBrBDE18.in ├── 28_Rxn9_TS_1cat_WCPT27.in ├── 28_clch3clts_BH76.in ├── 28_diisopropyl_Alk44.in ├── 28_val33-big_dim_HSG.in ├── 28_val33-big_monA_HSG.in ├── 28_val33-big_monB_HSG.in ├── 28prod_DIE60.in ├── 28react_DIE60.in ├── 2900_26UracilUracilpipi095_dim_S66x8.in ├── 2901_26UracilUracilpipi100_dim_S66x8.in ├── 2902_26UracilUracilpipi105_dim_S66x8.in ├── 2903_26UracilUracilpipi110_dim_S66x8.in ├── 2904_26UracilUracilpipi125_dim_S66x8.in ├── 2905_26UracilUracilpipi150_dim_S66x8.in ├── 2906_26UracilUracilpipi200_dim_S66x8.in ├── 2907_27BenzenePyridinepipi090_dim_S66x8.in ├── 2908_27BenzenePyridinepipi095_dim_S66x8.in ├── 2909_27BenzenePyridinepipi100_dim_S66x8.in ├── 2910_27BenzenePyridinepipi105_dim_S66x8.in ├── 2911_27BenzenePyridinepipi110_dim_S66x8.in ├── 2912_27BenzenePyridinepipi125_dim_S66x8.in ├── 2913_27BenzenePyridinepipi150_dim_S66x8.in ├── 2914_27BenzenePyridinepipi200_dim_S66x8.in ├── 2915_28BenzeneUracilpipi090_dim_S66x8.in ├── 2916_28BenzeneUracilpipi095_dim_S66x8.in ├── 2917_28BenzeneUracilpipi100_dim_S66x8.in ├── 2918_28BenzeneUracilpipi105_dim_S66x8.in ├── 2919_28BenzeneUracilpipi110_dim_S66x8.in ├── 2920_28BenzeneUracilpipi125_dim_S66x8.in ├── 2921_28BenzeneUracilpipi150_dim_S66x8.in ├── 2922_28BenzeneUracilpipi200_dim_S66x8.in ├── 2923_29PyridineUracilpipi090_dim_S66x8.in ├── 2924_29PyridineUracilpipi095_dim_S66x8.in ├── 2925_29PyridineUracilpipi100_dim_S66x8.in ├── 2926_29PyridineUracilpipi105_dim_S66x8.in ├── 2927_29PyridineUracilpipi110_dim_S66x8.in ├── 2928_29PyridineUracilpipi125_dim_S66x8.in ├── 2929_29PyridineUracilpipi150_dim_S66x8.in ├── 2930_29PyridineUracilpipi200_dim_S66x8.in ├── 2931_30BenzeneEthene090_dim_S66x8.in ├── 2932_30BenzeneEthene095_dim_S66x8.in ├── 2933_30BenzeneEthene100_dim_S66x8.in ├── 2934_30BenzeneEthene105_dim_S66x8.in ├── 2935_30BenzeneEthene110_dim_S66x8.in ├── 2936_30BenzeneEthene125_dim_S66x8.in ├── 2937_30BenzeneEthene150_dim_S66x8.in ├── 2938_30BenzeneEthene200_dim_S66x8.in ├── 2939_31UracilEthene090_dim_S66x8.in ├── 2940_31UracilEthene095_dim_S66x8.in ├── 2941_31UracilEthene100_dim_S66x8.in ├── 2942_31UracilEthene105_dim_S66x8.in ├── 2943_31UracilEthene110_dim_S66x8.in ├── 2944_31UracilEthene125_dim_S66x8.in ├── 2945_31UracilEthene150_dim_S66x8.in ├── 2946_31UracilEthene200_dim_S66x8.in ├── 2947_32UracilEthyne090_dim_S66x8.in ├── 2948_32UracilEthyne095_dim_S66x8.in ├── 2949_32UracilEthyne100_dim_S66x8.in ├── 2950_32UracilEthyne105_dim_S66x8.in ├── 2951_32UracilEthyne110_dim_S66x8.in ├── 2952_32UracilEthyne125_dim_S66x8.in ├── 2953_32UracilEthyne150_dim_S66x8.in ├── 2954_32UracilEthyne200_dim_S66x8.in ├── 2955_33PyridineEthene090_dim_S66x8.in ├── 2956_33PyridineEthene095_dim_S66x8.in ├── 2957_33PyridineEthene100_dim_S66x8.in ├── 2958_33PyridineEthene105_dim_S66x8.in ├── 2959_33PyridineEthene110_dim_S66x8.in ├── 2960_33PyridineEthene125_dim_S66x8.in ├── 2961_33PyridineEthene150_dim_S66x8.in ├── 2962_33PyridineEthene200_dim_S66x8.in ├── 2963_34PentanePentane090_dim_S66x8.in ├── 2964_34PentanePentane095_dim_S66x8.in ├── 2965_34PentanePentane100_dim_S66x8.in ├── 2966_34PentanePentane105_dim_S66x8.in ├── 2967_34PentanePentane110_dim_S66x8.in ├── 2968_34PentanePentane125_dim_S66x8.in ├── 2969_34PentanePentane150_dim_S66x8.in ├── 2970_34PentanePentane200_dim_S66x8.in ├── 2971_35NeopentanePentane090_dim_S66x8.in ├── 2972_35NeopentanePentane095_dim_S66x8.in ├── 2973_35NeopentanePentane100_dim_S66x8.in ├── 2974_35NeopentanePentane105_dim_S66x8.in ├── 2975_35NeopentanePentane110_dim_S66x8.in ├── 2976_35NeopentanePentane125_dim_S66x8.in ├── 2977_35NeopentanePentane150_dim_S66x8.in ├── 2978_35NeopentanePentane200_dim_S66x8.in ├── 2979_36NeopentaneNeopentane090_dim_S66x8.in ├── 2980_36NeopentaneNeopentane095_dim_S66x8.in ├── 2981_36NeopentaneNeopentane100_dim_S66x8.in ├── 2982_36NeopentaneNeopentane105_dim_S66x8.in ├── 2983_36NeopentaneNeopentane110_dim_S66x8.in ├── 2984_36NeopentaneNeopentane125_dim_S66x8.in ├── 2985_36NeopentaneNeopentane150_dim_S66x8.in ├── 2986_36NeopentaneNeopentane200_dim_S66x8.in ├── 2987_37CyclopentaneNeopentane090_dim_S66x8.in ├── 2988_37CyclopentaneNeopentane095_dim_S66x8.in ├── 2989_37CyclopentaneNeopentane100_dim_S66x8.in ├── 2990_37CyclopentaneNeopentane105_dim_S66x8.in ├── 2991_37CyclopentaneNeopentane110_dim_S66x8.in ├── 2992_37CyclopentaneNeopentane125_dim_S66x8.in ├── 2993_37CyclopentaneNeopentane150_dim_S66x8.in ├── 2994_37CyclopentaneNeopentane200_dim_S66x8.in ├── 2995_38CyclopentaneCyclopentane090_dim_S66x8.in ├── 2996_38CyclopentaneCyclopentane095_dim_S66x8.in ├── 2997_38CyclopentaneCyclopentane100_dim_S66x8.in ├── 2998_38CyclopentaneCyclopentane105_dim_S66x8.in ├── 2999_38CyclopentaneCyclopentane110_dim_S66x8.in ├── 29_C4H4_H2O_CH__Op_dim_HW30.in ├── 29_C4H4_H2O_CH__Op_monA_HW30.in ├── 29_C4H4_H2O_CH__Op_monB_HW30.in ├── 29_Cl-_S_PF3_dim_Bauza30.in ├── 29_Cl-_S_PF3_monA_Bauza30.in ├── 29_Cl-_S_PF3_monB_Bauza30.in ├── 29_H2CO_XB18.in ├── 29_HCN-D_dim_CT20.in ├── 29_HCN-D_monA_CT20.in ├── 29_HCN-D_monB_CT20.in ├── 29_HCONHBr_HNBrBDE18.in ├── 29_HF-CO+_TA13.in ├── 29_HFHCN_HB49.in ├── 29_Isomer19_Styrene45.in ├── 29_Reactant10_EIE22.in ├── 29_Rxn1_TS_2cat_WCPT27.in ├── 29_clf_BH76.in ├── 29_hexamethylethane_Alk44.in ├── 29_val83_dim_HSG.in ├── 29_val83_monA_HSG.in ├── 29_val83_monB_HSG.in ├── 29prod_DIE60.in ├── 29react_DIE60.in ├── 2prod1_CR20.in ├── 2prod2_CR20.in ├── 2prod_DIE60.in ├── 2react_CR20.in ├── 2react_DIE60.in ├── 3000_38CyclopentaneCyclopentane125_dim_S66x8.in ├── 3001_38CyclopentaneCyclopentane150_dim_S66x8.in ├── 3002_38CyclopentaneCyclopentane200_dim_S66x8.in ├── 3003_39BenzeneCyclopentane090_dim_S66x8.in ├── 3004_39BenzeneCyclopentane095_dim_S66x8.in ├── 3005_39BenzeneCyclopentane100_dim_S66x8.in ├── 3006_39BenzeneCyclopentane105_dim_S66x8.in ├── 3007_39BenzeneCyclopentane110_dim_S66x8.in ├── 3008_39BenzeneCyclopentane125_dim_S66x8.in ├── 3009_39BenzeneCyclopentane150_dim_S66x8.in ├── 3010_39BenzeneCyclopentane200_dim_S66x8.in ├── 3011_40BenzeneNeopentane090_dim_S66x8.in ├── 3012_40BenzeneNeopentane095_dim_S66x8.in ├── 3013_40BenzeneNeopentane100_dim_S66x8.in ├── 3014_40BenzeneNeopentane105_dim_S66x8.in ├── 3015_40BenzeneNeopentane110_dim_S66x8.in ├── 3016_40BenzeneNeopentane125_dim_S66x8.in ├── 3017_40BenzeneNeopentane150_dim_S66x8.in ├── 3018_40BenzeneNeopentane200_dim_S66x8.in ├── 3019_41UracilPentane090_dim_S66x8.in ├── 3020_41UracilPentane095_dim_S66x8.in ├── 3021_41UracilPentane100_dim_S66x8.in ├── 3022_41UracilPentane105_dim_S66x8.in ├── 3023_41UracilPentane110_dim_S66x8.in ├── 3024_41UracilPentane125_dim_S66x8.in ├── 3025_41UracilPentane150_dim_S66x8.in ├── 3026_41UracilPentane200_dim_S66x8.in ├── 3027_42UracilCyclopentane090_dim_S66x8.in ├── 3028_42UracilCyclopentane095_dim_S66x8.in ├── 3029_42UracilCyclopentane100_dim_S66x8.in ├── 3030_42UracilCyclopentane105_dim_S66x8.in ├── 3031_42UracilCyclopentane110_dim_S66x8.in ├── 3032_42UracilCyclopentane125_dim_S66x8.in ├── 3033_42UracilCyclopentane150_dim_S66x8.in ├── 3034_42UracilCyclopentane200_dim_S66x8.in ├── 3035_43UracilNeopentane090_dim_S66x8.in ├── 3036_43UracilNeopentane095_dim_S66x8.in ├── 3037_43UracilNeopentane100_dim_S66x8.in ├── 3038_43UracilNeopentane105_dim_S66x8.in ├── 3039_43UracilNeopentane110_dim_S66x8.in ├── 3040_43UracilNeopentane125_dim_S66x8.in ├── 3041_43UracilNeopentane150_dim_S66x8.in ├── 3042_43UracilNeopentane200_dim_S66x8.in ├── 3043_44EthenePentane090_dim_S66x8.in ├── 3044_44EthenePentane095_dim_S66x8.in ├── 3045_44EthenePentane100_dim_S66x8.in ├── 3046_44EthenePentane105_dim_S66x8.in ├── 3047_44EthenePentane110_dim_S66x8.in ├── 3048_44EthenePentane125_dim_S66x8.in ├── 3049_44EthenePentane150_dim_S66x8.in ├── 3050_44EthenePentane200_dim_S66x8.in ├── 3051_45EthynePentane090_dim_S66x8.in ├── 3052_45EthynePentane095_dim_S66x8.in ├── 3053_45EthynePentane100_dim_S66x8.in ├── 3054_45EthynePentane105_dim_S66x8.in ├── 3055_45EthynePentane110_dim_S66x8.in ├── 3056_45EthynePentane125_dim_S66x8.in ├── 3057_45EthynePentane150_dim_S66x8.in ├── 3058_45EthynePentane200_dim_S66x8.in ├── 3059_46PeptidePentane090_dim_S66x8.in ├── 3060_46PeptidePentane095_dim_S66x8.in ├── 3061_46PeptidePentane100_dim_S66x8.in ├── 3062_46PeptidePentane105_dim_S66x8.in ├── 3063_46PeptidePentane110_dim_S66x8.in ├── 3064_46PeptidePentane125_dim_S66x8.in ├── 3065_46PeptidePentane150_dim_S66x8.in ├── 3066_46PeptidePentane200_dim_S66x8.in ├── 3067_47BenzeneBenzeneTS090_dim_S66x8.in ├── 3068_47BenzeneBenzeneTS095_dim_S66x8.in ├── 3069_47BenzeneBenzeneTS100_dim_S66x8.in ├── 3070_47BenzeneBenzeneTS105_dim_S66x8.in ├── 3071_47BenzeneBenzeneTS110_dim_S66x8.in ├── 3072_47BenzeneBenzeneTS125_dim_S66x8.in ├── 3073_47BenzeneBenzeneTS150_dim_S66x8.in ├── 3074_47BenzeneBenzeneTS200_dim_S66x8.in ├── 3075_48PyridinePyridineTS090_dim_S66x8.in ├── 3076_48PyridinePyridineTS095_dim_S66x8.in ├── 3077_48PyridinePyridineTS100_dim_S66x8.in ├── 3078_48PyridinePyridineTS105_dim_S66x8.in ├── 3079_48PyridinePyridineTS110_dim_S66x8.in ├── 3080_48PyridinePyridineTS125_dim_S66x8.in ├── 3081_48PyridinePyridineTS150_dim_S66x8.in ├── 3082_48PyridinePyridineTS200_dim_S66x8.in ├── 3083_49BenzenePyridineTS090_dim_S66x8.in ├── 3084_49BenzenePyridineTS095_dim_S66x8.in ├── 3085_49BenzenePyridineTS100_dim_S66x8.in ├── 3086_49BenzenePyridineTS105_dim_S66x8.in ├── 3087_49BenzenePyridineTS110_dim_S66x8.in ├── 3088_49BenzenePyridineTS125_dim_S66x8.in ├── 3089_49BenzenePyridineTS150_dim_S66x8.in ├── 3090_49BenzenePyridineTS200_dim_S66x8.in ├── 3091_50BenzeneEthyneCHpi090_dim_S66x8.in ├── 3092_50BenzeneEthyneCHpi095_dim_S66x8.in ├── 3093_50BenzeneEthyneCHpi100_dim_S66x8.in ├── 3094_50BenzeneEthyneCHpi105_dim_S66x8.in ├── 3095_50BenzeneEthyneCHpi110_dim_S66x8.in ├── 3096_50BenzeneEthyneCHpi125_dim_S66x8.in ├── 3097_50BenzeneEthyneCHpi150_dim_S66x8.in ├── 3098_50BenzeneEthyneCHpi200_dim_S66x8.in ├── 3099_51EthyneEthyneTS090_dim_S66x8.in ├── 30_Br-_S_PF3_dim_Bauza30.in ├── 30_Br-_S_PF3_monA_Bauza30.in ├── 30_Br-_S_PF3_monB_Bauza30.in ├── 30_C4H4_H2O_CH__O_dim_HW30.in ├── 30_C4H4_H2O_CH__O_monA_HW30.in ├── 30_C4H4_H2O_CH__O_monB_HW30.in ├── 30_FH-NH2_TA13.in ├── 30_HBr_XB18.in ├── 30_HCN-E_dim_CT20.in ├── 30_HCN-E_monA_CT20.in ├── 30_HCN-E_monB_CT20.in ├── 30_HCONHrad_HNBrBDE18.in ├── 30_HF_HB49.in ├── 30_Isomer20_Styrene45.in ├── 30_PCH_PhBr_XB51.in ├── 30_Product10_EIE22.in ├── 30_Rxn2_TS_2cat_WCPT27.in ├── 30_cl_lower_BH76.in ├── 30_val132_dim_HSG.in ├── 30_val132_monA_HSG.in ├── 30_val132_monB_HSG.in ├── 30prod_DIE60.in ├── 30react_DIE60.in ├── 3100_51EthyneEthyneTS095_dim_S66x8.in ├── 3101_51EthyneEthyneTS100_dim_S66x8.in ├── 3102_51EthyneEthyneTS105_dim_S66x8.in ├── 3103_51EthyneEthyneTS110_dim_S66x8.in ├── 3104_51EthyneEthyneTS125_dim_S66x8.in ├── 3105_51EthyneEthyneTS150_dim_S66x8.in ├── 3106_51EthyneEthyneTS200_dim_S66x8.in ├── 3107_52BenzeneAcOHOHpi090_dim_S66x8.in ├── 3108_52BenzeneAcOHOHpi095_dim_S66x8.in ├── 3109_52BenzeneAcOHOHpi100_dim_S66x8.in ├── 3110_52BenzeneAcOHOHpi105_dim_S66x8.in ├── 3111_52BenzeneAcOHOHpi110_dim_S66x8.in ├── 3112_52BenzeneAcOHOHpi125_dim_S66x8.in ├── 3113_52BenzeneAcOHOHpi150_dim_S66x8.in ├── 3114_52BenzeneAcOHOHpi200_dim_S66x8.in ├── 3115_53BenzeneAcNH2NHpi090_dim_S66x8.in ├── 3116_53BenzeneAcNH2NHpi095_dim_S66x8.in ├── 3117_53BenzeneAcNH2NHpi100_dim_S66x8.in ├── 3118_53BenzeneAcNH2NHpi105_dim_S66x8.in ├── 3119_53BenzeneAcNH2NHpi110_dim_S66x8.in ├── 3120_53BenzeneAcNH2NHpi125_dim_S66x8.in ├── 3121_53BenzeneAcNH2NHpi150_dim_S66x8.in ├── 3122_53BenzeneAcNH2NHpi200_dim_S66x8.in ├── 3123_54BenzeneWaterOHpi090_dim_S66x8.in ├── 3124_54BenzeneWaterOHpi095_dim_S66x8.in ├── 3125_54BenzeneWaterOHpi100_dim_S66x8.in ├── 3126_54BenzeneWaterOHpi105_dim_S66x8.in ├── 3127_54BenzeneWaterOHpi110_dim_S66x8.in ├── 3128_54BenzeneWaterOHpi125_dim_S66x8.in ├── 3129_54BenzeneWaterOHpi150_dim_S66x8.in ├── 3130_54BenzeneWaterOHpi200_dim_S66x8.in ├── 3131_55BenzeneMeOHOHpi090_dim_S66x8.in ├── 3132_55BenzeneMeOHOHpi095_dim_S66x8.in ├── 3133_55BenzeneMeOHOHpi100_dim_S66x8.in ├── 3134_55BenzeneMeOHOHpi105_dim_S66x8.in ├── 3135_55BenzeneMeOHOHpi110_dim_S66x8.in ├── 3136_55BenzeneMeOHOHpi125_dim_S66x8.in ├── 3137_55BenzeneMeOHOHpi150_dim_S66x8.in ├── 3138_55BenzeneMeOHOHpi200_dim_S66x8.in ├── 3139_56BenzeneMeNH2NHpi090_dim_S66x8.in ├── 3140_56BenzeneMeNH2NHpi095_dim_S66x8.in ├── 3141_56BenzeneMeNH2NHpi100_dim_S66x8.in ├── 3142_56BenzeneMeNH2NHpi105_dim_S66x8.in ├── 3143_56BenzeneMeNH2NHpi110_dim_S66x8.in ├── 3144_56BenzeneMeNH2NHpi125_dim_S66x8.in ├── 3145_56BenzeneMeNH2NHpi150_dim_S66x8.in ├── 3146_56BenzeneMeNH2NHpi200_dim_S66x8.in ├── 3147_57BenzenePeptideNHpi090_dim_S66x8.in ├── 3148_57BenzenePeptideNHpi095_dim_S66x8.in ├── 3149_57BenzenePeptideNHpi100_dim_S66x8.in ├── 3150_57BenzenePeptideNHpi105_dim_S66x8.in ├── 3151_57BenzenePeptideNHpi110_dim_S66x8.in ├── 3152_57BenzenePeptideNHpi125_dim_S66x8.in ├── 3153_57BenzenePeptideNHpi150_dim_S66x8.in ├── 3154_57BenzenePeptideNHpi200_dim_S66x8.in ├── 3155_58PyridinePyridineCHN090_dim_S66x8.in ├── 3156_58PyridinePyridineCHN095_dim_S66x8.in ├── 3157_58PyridinePyridineCHN100_dim_S66x8.in ├── 3158_58PyridinePyridineCHN105_dim_S66x8.in ├── 3159_58PyridinePyridineCHN110_dim_S66x8.in ├── 3160_58PyridinePyridineCHN125_dim_S66x8.in ├── 3161_58PyridinePyridineCHN150_dim_S66x8.in ├── 3162_58PyridinePyridineCHN200_dim_S66x8.in ├── 3163_59EthyneWaterCHO090_dim_S66x8.in ├── 3164_59EthyneWaterCHO095_dim_S66x8.in ├── 3165_59EthyneWaterCHO100_dim_S66x8.in ├── 3166_59EthyneWaterCHO105_dim_S66x8.in ├── 3167_59EthyneWaterCHO110_dim_S66x8.in ├── 3168_59EthyneWaterCHO125_dim_S66x8.in ├── 3169_59EthyneWaterCHO150_dim_S66x8.in ├── 3170_59EthyneWaterCHO200_dim_S66x8.in ├── 3171_60EthyneAcOHOHpi090_dim_S66x8.in ├── 3172_60EthyneAcOHOHpi095_dim_S66x8.in ├── 3173_60EthyneAcOHOHpi100_dim_S66x8.in ├── 3174_60EthyneAcOHOHpi105_dim_S66x8.in ├── 3175_60EthyneAcOHOHpi110_dim_S66x8.in ├── 3176_60EthyneAcOHOHpi125_dim_S66x8.in ├── 3177_60EthyneAcOHOHpi150_dim_S66x8.in ├── 3178_60EthyneAcOHOHpi200_dim_S66x8.in ├── 3179_61PentaneAcOH090_dim_S66x8.in ├── 3180_61PentaneAcOH095_dim_S66x8.in ├── 3181_61PentaneAcOH100_dim_S66x8.in ├── 3182_61PentaneAcOH105_dim_S66x8.in ├── 3183_61PentaneAcOH110_dim_S66x8.in ├── 3184_61PentaneAcOH125_dim_S66x8.in ├── 3185_61PentaneAcOH150_dim_S66x8.in ├── 3186_61PentaneAcOH200_dim_S66x8.in ├── 3187_62PentaneAcNH2090_dim_S66x8.in ├── 3188_62PentaneAcNH2095_dim_S66x8.in ├── 3189_62PentaneAcNH2100_dim_S66x8.in ├── 3190_62PentaneAcNH2105_dim_S66x8.in ├── 3191_62PentaneAcNH2110_dim_S66x8.in ├── 3192_62PentaneAcNH2125_dim_S66x8.in ├── 3193_62PentaneAcNH2150_dim_S66x8.in ├── 3194_62PentaneAcNH2200_dim_S66x8.in ├── 3195_63BenzeneAcOH090_dim_S66x8.in ├── 3196_63BenzeneAcOH095_dim_S66x8.in ├── 3197_63BenzeneAcOH100_dim_S66x8.in ├── 3198_63BenzeneAcOH105_dim_S66x8.in ├── 3199_63BenzeneAcOH110_dim_S66x8.in ├── 31_C4H4_H2O_OH__pi_dim_HW30.in ├── 31_C4H4_H2O_OH__pi_monA_HW30.in ├── 31_C4H4_H2O_OH__pi_monB_HW30.in ├── 31_Cl-_Se_PF3_dim_Bauza30.in ├── 31_Cl-_Se_PF3_monA_Bauza30.in ├── 31_Cl-_Se_PF3_monB_Bauza30.in ├── 31_FH-OH_TA13.in ├── 31_HBrNCH_XB18.in ├── 31_Isomer21_Styrene45.in ├── 31_MeCONHBr_HNBrBDE18.in ├── 31_NH3_HB49.in ├── 31_Reactant11_EIE22.in ├── 31_Rxn3_TS_2cat_WCPT27.in ├── 31_wat200_dim_HSG.in ├── 31_wat200_monA_HSG.in ├── 31_wat200_monB_HSG.in ├── 31prod_DIE60.in ├── 31react_DIE60.in ├── 3200_63BenzeneAcOH125_dim_S66x8.in ├── 3201_63BenzeneAcOH150_dim_S66x8.in ├── 3202_63BenzeneAcOH200_dim_S66x8.in ├── 3203_64PeptideEthene090_dim_S66x8.in ├── 3204_64PeptideEthene095_dim_S66x8.in ├── 3205_64PeptideEthene100_dim_S66x8.in ├── 3206_64PeptideEthene105_dim_S66x8.in ├── 3207_64PeptideEthene110_dim_S66x8.in ├── 3208_64PeptideEthene125_dim_S66x8.in ├── 3209_64PeptideEthene150_dim_S66x8.in ├── 3210_64PeptideEthene200_dim_S66x8.in ├── 3211_65PyridineEthyne090_dim_S66x8.in ├── 3212_65PyridineEthyne095_dim_S66x8.in ├── 3213_65PyridineEthyne100_dim_S66x8.in ├── 3214_65PyridineEthyne105_dim_S66x8.in ├── 3215_65PyridineEthyne110_dim_S66x8.in ├── 3216_65PyridineEthyne125_dim_S66x8.in ├── 3217_65PyridineEthyne150_dim_S66x8.in ├── 3218_65PyridineEthyne200_dim_S66x8.in ├── 3219_66MeNH2Pyridine090_dim_S66x8.in ├── 3220_66MeNH2Pyridine095_dim_S66x8.in ├── 3221_66MeNH2Pyridine100_dim_S66x8.in ├── 3222_66MeNH2Pyridine105_dim_S66x8.in ├── 3223_66MeNH2Pyridine110_dim_S66x8.in ├── 3224_66MeNH2Pyridine125_dim_S66x8.in ├── 3225_66MeNH2Pyridine150_dim_S66x8.in ├── 3226_66MeNH2Pyridine200_dim_S66x8.in ├── 32_Br-_Se_PF3_dim_Bauza30.in ├── 32_Br-_Se_PF3_monA_Bauza30.in ├── 32_Br-_Se_PF3_monB_Bauza30.in ├── 32_BrBr_FCCH_XB51.in ├── 32_C4H4_H2O_OH2__pi_dim_HW30.in ├── 32_C4H4_H2O_OH2__pi_monA_HW30.in ├── 32_C4H4_H2O_OH2__pi_monB_HW30.in ├── 32_HBrOCH2_XB18.in ├── 32_Isomer22_Styrene45.in ├── 32_MeCONHrad_HNBrBDE18.in ├── 32_NH3NH3_HB49.in ├── 32_Product11_EIE22.in ├── 32_Rxn4_TS_2cat_WCPT27.in ├── 32_al_TA13.in ├── 32prod_DIE60.in ├── 32react_DIE60.in ├── 33_BrBr_FMe_XB51.in ├── 33_C5H6_H2O_CH__O_dim_HW30.in ├── 33_C5H6_H2O_CH__O_monA_HW30.in ├── 33_C5H6_H2O_CH__O_monB_HW30.in ├── 33_FCONHBr_HNBrBDE18.in ├── 33_H3N_S_PF3_dim_Bauza30.in ├── 33_H3N_S_PF3_monA_Bauza30.in ├── 33_H3N_S_PF3_monB_Bauza30.in ├── 33_HCN_XB18.in ├── 33_Isomer23_Styrene45.in ├── 33_NH4H2O_HB49.in ├── 33_Reactant12_EIE22.in ├── 33_Rxn5_TS_2cat_WCPT27.in ├── 33_be+_TA13.in ├── 33_f-_BH76.in ├── 33prod_DIE60.in ├── 33react_DIE60.in ├── 34_C5H6_H2O_OH__pi_dim_HW30.in ├── 34_C5H6_H2O_OH__pi_monA_HW30.in ├── 34_C5H6_H2O_OH__pi_monB_HW30.in ├── 34_FCONHrad_HNBrBDE18.in ├── 34_H3N_Se_PF3_dim_Bauza30.in ├── 34_H3N_Se_PF3_monA_Bauza30.in ├── 34_H3N_Se_PF3_monB_Bauza30.in ├── 34_Isomer24_Styrene45.in ├── 34_NH4_HB49.in ├── 34_Product12_EIE22.in ├── 34_Rxn6_TS_2cat_WCPT27.in ├── 34_br_TA13.in ├── 34prod_DIE60.in ├── 34react_DIE60.in ├── 35_C5H6_H2O_OH2__pi_dim_HW30.in ├── 35_C5H6_H2O_OH2__pi_monA_HW30.in ├── 35_C5H6_H2O_OH2__pi_monB_HW30.in ├── 35_Cl-_PF3_dim_Bauza30.in ├── 35_Cl-_PF3_monA_Bauza30.in ├── 35_Cl-_PF3_monB_Bauza30.in ├── 35_Isomer25_Styrene45.in ├── 35_NCCONHBr_HNBrBDE18.in ├── 35_OCHF_HB49.in ├── 35_Reactant13_EIE22.in ├── 35_Rxn7_TS_2cat_WCPT27.in ├── 35_cl_TA13.in ├── 35_fch3clcomp1_BH76.in ├── 35prod_DIE60.in ├── 35react_DIE60.in ├── 36_Br-_PF3_dim_Bauza30.in ├── 36_Br-_PF3_monA_Bauza30.in ├── 36_Br-_PF3_monB_Bauza30.in ├── 36_BrBr_NH3_XB51.in ├── 36_C6H6_H2O_CH__O_dim_HW30.in ├── 36_C6H6_H2O_CH__O_monA_HW30.in ├── 36_C6H6_H2O_CH__O_monB_HW30.in ├── 36_Isomer26_Styrene45.in ├── 36_NCCONHrad_HNBrBDE18.in ├── 36_OHH2O_HB49.in ├── 36_Product13_EIE22.in ├── 36_Rxn8_TS_2cat_WCPT27.in ├── 36_f_TA13.in ├── 36_fch3clcomp2_BH76.in ├── 36prod_DIE60.in ├── 36react_DIE60.in ├── 37_C6H6_H2O_CH__Onp_dim_HW30.in ├── 37_C6H6_H2O_CH__Onp_monA_HW30.in ├── 37_C6H6_H2O_CH__Onp_monB_HW30.in ├── 37_Cl-_AsF3_dim_Bauza30.in ├── 37_Cl-_AsF3_monA_Bauza30.in ├── 37_Cl-_AsF3_monB_Bauza30.in ├── 37_HCONMeBr_HNBrBDE18.in ├── 37_Isomer27_Styrene45.in ├── 37_OH_HB49.in ├── 37_Reactant14_EIE22.in ├── 37_Rxn9_TS_2cat_WCPT27.in ├── 37_fch3clts_BH76.in ├── 37_li_TA13.in ├── 37prod_DIE60.in ├── 37react_DIE60.in ├── 38_Ac-_HB49.in ├── 38_Br-_AsF3_dim_Bauza30.in ├── 38_Br-_AsF3_monA_Bauza30.in ├── 38_Br-_AsF3_monB_Bauza30.in ├── 38_BrBr_OPH3_XB51.in ├── 38_C6H6_H2O_CH__Op_dim_HW30.in ├── 38_C6H6_H2O_CH__Op_monA_HW30.in ├── 38_C6H6_H2O_CH__Op_monB_HW30.in ├── 38_HCONMerad_HNBrBDE18.in ├── 38_Isomer28_Styrene45.in ├── 38_Product14_EIE22.in ├── 38prod_DIE60.in ├── 38react_DIE60.in ├── 3957_01waterammonia_dim_A24.in ├── 3957_01waterammonia_monA_A24.in ├── 3957_01waterammonia_monB_A24.in ├── 3958_02waterdimer_dim_A24.in ├── 3958_02waterdimer_monA_A24.in ├── 3958_02waterdimer_monB_A24.in ├── 3959_03HCNdimer_dim_A24.in ├── 3959_03HCNdimer_monA_A24.in ├── 3959_03HCNdimer_monB_A24.in ├── 3960_04HFdimer_dim_A24.in ├── 3960_04HFdimer_monA_A24.in ├── 3960_04HFdimer_monB_A24.in ├── 3961_05ammoniadimer_dim_A24.in ├── 3961_05ammoniadimer_monA_A24.in ├── 3961_05ammoniadimer_monB_A24.in ├── 3962_06HFmethane_dim_A24.in ├── 3962_06HFmethane_monA_A24.in ├── 3962_06HFmethane_monB_A24.in ├── 3963_07ammoniamethane_dim_A24.in ├── 3963_07ammoniamethane_monA_A24.in ├── 3963_07ammoniamethane_monB_A24.in ├── 3964_08watermethane_dim_A24.in ├── 3964_08watermethane_monA_A24.in ├── 3964_08watermethane_monB_A24.in ├── 3965_09formaldehydedimer_dim_A24.in ├── 3965_09formaldehydedimer_monA_A24.in ├── 3965_09formaldehydedimer_monB_A24.in ├── 3966_10waterethene_dim_A24.in ├── 3966_10waterethene_monA_A24.in ├── 3966_10waterethene_monB_A24.in ├── 3967_11formaldehydeethene_dim_A24.in ├── 3967_11formaldehydeethene_monA_A24.in ├── 3967_11formaldehydeethene_monB_A24.in ├── 3968_12ethynedimer_dim_A24.in ├── 3968_12ethynedimer_monA_A24.in ├── 3968_12ethynedimer_monB_A24.in ├── 3969_13ammoniaethene_dim_A24.in ├── 3969_13ammoniaethene_monA_A24.in ├── 3969_13ammoniaethene_monB_A24.in ├── 3970_14ethenedimer_dim_A24.in ├── 3970_14ethenedimer_monA_A24.in ├── 3970_14ethenedimer_monB_A24.in ├── 3971_15methaneethene_dim_A24.in ├── 3971_15methaneethene_monA_A24.in ├── 3971_15methaneethene_monB_A24.in ├── 3972_16boranemethane_dim_A24.in ├── 3972_16boranemethane_monA_A24.in ├── 3972_16boranemethane_monB_A24.in ├── 3973_17methaneethane_dim_A24.in ├── 3973_17methaneethane_monA_A24.in ├── 3973_17methaneethane_monB_A24.in ├── 3974_18methaneethane_dim_A24.in ├── 3974_18methaneethane_monA_A24.in ├── 3974_18methaneethane_monB_A24.in ├── 3975_19methanedimer_dim_A24.in ├── 3975_19methanedimer_monA_A24.in ├── 3975_19methanedimer_monB_A24.in ├── 3976_20Armethane_dim_A24.in ├── 3976_20Armethane_monA_A24.in ├── 3976_20Armethane_monB_A24.in ├── 3977_21Arethene_dim_A24.in ├── 3977_21Arethene_monA_A24.in ├── 3977_21Arethene_monB_A24.in ├── 3978_22etheneethyne_dim_A24.in ├── 3978_22etheneethyne_monA_A24.in ├── 3978_22etheneethyne_monB_A24.in ├── 3979_23ethenedimer_dim_A24.in ├── 3979_23ethenedimer_monA_A24.in ├── 3979_23ethenedimer_monB_A24.in ├── 3980_24ethynedimer_dim_A24.in ├── 3980_24ethynedimer_monA_A24.in ├── 3980_24ethynedimer_monB_A24.in ├── 39_Ac-H2O_HB49.in ├── 39_BrBr_PCH_XB51.in ├── 39_C6H6_H2O_OH__pi_dim_HW30.in ├── 39_C6H6_H2O_OH__pi_monA_HW30.in ├── 39_C6H6_H2O_OH__pi_monB_HW30.in ├── 39_H3N_PF3_dim_Bauza30.in ├── 39_H3N_PF3_monA_Bauza30.in ├── 39_H3N_PF3_monB_Bauza30.in ├── 39_Isomer29_Styrene45.in ├── 39_N-BrUrea_HNBrBDE18.in ├── 39_Reactant15_EIE22.in ├── 39_Rxn2_Reactant_WCPT27.in ├── 39prod_DIE60.in ├── 39react_DIE60.in ├── 3BHET_1.1_dimAB.in ├── 3BHET_1.1_dimAC.in ├── 3BHET_1.1_dimBC.in ├── 3BHET_1.1_monA.in ├── 3BHET_1.1_monB.in ├── 3BHET_1.1_monC.in ├── 3BHET_1.1_trim.in ├── 3BHET_1.2_dimAB.in ├── 3BHET_1.2_dimAC.in ├── 3BHET_1.2_dimBC.in ├── 3BHET_1.2_monA.in ├── 3BHET_1.2_monB.in ├── 3BHET_1.2_monC.in ├── 3BHET_1.2_trim.in ├── 3BHET_10.1_dimAB.in ├── 3BHET_10.1_dimAC.in ├── 3BHET_10.1_dimBC.in ├── 3BHET_10.1_monA.in ├── 3BHET_10.1_monB.in ├── 3BHET_10.1_monC.in ├── 3BHET_10.1_trim.in ├── 3BHET_10.2_dimAB.in ├── 3BHET_10.2_dimAC.in ├── 3BHET_10.2_dimBC.in ├── 3BHET_10.2_monA.in ├── 3BHET_10.2_monB.in ├── 3BHET_10.2_monC.in ├── 3BHET_10.2_trim.in ├── 3BHET_2.1_dimAB.in ├── 3BHET_2.1_dimAC.in ├── 3BHET_2.1_dimBC.in ├── 3BHET_2.1_monA.in ├── 3BHET_2.1_monB.in ├── 3BHET_2.1_monC.in ├── 3BHET_2.1_trim.in ├── 3BHET_2.2_dimAB.in ├── 3BHET_2.2_dimAC.in ├── 3BHET_2.2_dimBC.in ├── 3BHET_2.2_monA.in ├── 3BHET_2.2_monB.in ├── 3BHET_2.2_monC.in ├── 3BHET_2.2_trim.in ├── 3BHET_3.1_dimAB.in ├── 3BHET_3.1_dimAC.in ├── 3BHET_3.1_dimBC.in ├── 3BHET_3.1_monA.in ├── 3BHET_3.1_monB.in ├── 3BHET_3.1_monC.in ├── 3BHET_3.1_trim.in ├── 3BHET_3.2_dimAB.in ├── 3BHET_3.2_dimAC.in ├── 3BHET_3.2_dimBC.in ├── 3BHET_3.2_monA.in ├── 3BHET_3.2_monB.in ├── 3BHET_3.2_monC.in ├── 3BHET_3.2_trim.in ├── 3BHET_4.1_dimAB.in ├── 3BHET_4.1_dimAC.in ├── 3BHET_4.1_dimBC.in ├── 3BHET_4.1_monA.in ├── 3BHET_4.1_monB.in ├── 3BHET_4.1_monC.in ├── 3BHET_4.1_trim.in ├── 3BHET_4.2_dimAB.in ├── 3BHET_4.2_dimAC.in ├── 3BHET_4.2_dimBC.in ├── 3BHET_4.2_monA.in ├── 3BHET_4.2_monB.in ├── 3BHET_4.2_monC.in ├── 3BHET_4.2_trim.in ├── 3BHET_5.1_dimAB.in ├── 3BHET_5.1_dimAC.in ├── 3BHET_5.1_dimBC.in ├── 3BHET_5.1_monA.in ├── 3BHET_5.1_monB.in ├── 3BHET_5.1_monC.in ├── 3BHET_5.1_trim.in ├── 3BHET_5.2_dimAB.in ├── 3BHET_5.2_dimAC.in ├── 3BHET_5.2_dimBC.in ├── 3BHET_5.2_monA.in ├── 3BHET_5.2_monB.in ├── 3BHET_5.2_monC.in ├── 3BHET_5.2_trim.in ├── 3BHET_6.1_dimAB.in ├── 3BHET_6.1_dimAC.in ├── 3BHET_6.1_dimBC.in ├── 3BHET_6.1_monA.in ├── 3BHET_6.1_monB.in ├── 3BHET_6.1_monC.in ├── 3BHET_6.1_trim.in ├── 3BHET_6.2_dimAB.in ├── 3BHET_6.2_dimAC.in ├── 3BHET_6.2_dimBC.in ├── 3BHET_6.2_monA.in ├── 3BHET_6.2_monB.in ├── 3BHET_6.2_monC.in ├── 3BHET_6.2_trim.in ├── 3BHET_7.1_dimAB.in ├── 3BHET_7.1_dimAC.in ├── 3BHET_7.1_dimBC.in ├── 3BHET_7.1_monA.in ├── 3BHET_7.1_monB.in ├── 3BHET_7.1_monC.in ├── 3BHET_7.1_trim.in ├── 3BHET_7.2_dimAB.in ├── 3BHET_7.2_dimAC.in ├── 3BHET_7.2_dimBC.in ├── 3BHET_7.2_monA.in ├── 3BHET_7.2_monB.in ├── 3BHET_7.2_monC.in ├── 3BHET_7.2_trim.in ├── 3BHET_8.1_dimAB.in ├── 3BHET_8.1_dimAC.in ├── 3BHET_8.1_dimBC.in ├── 3BHET_8.1_monA.in ├── 3BHET_8.1_monB.in ├── 3BHET_8.1_monC.in ├── 3BHET_8.1_trim.in ├── 3BHET_8.2_dimAB.in ├── 3BHET_8.2_dimAC.in ├── 3BHET_8.2_dimBC.in ├── 3BHET_8.2_monA.in ├── 3BHET_8.2_monB.in ├── 3BHET_8.2_monC.in ├── 3BHET_8.2_trim.in ├── 3BHET_9.1_dimAB.in ├── 3BHET_9.1_dimAC.in ├── 3BHET_9.1_dimBC.in ├── 3BHET_9.1_monA.in ├── 3BHET_9.1_monB.in ├── 3BHET_9.1_monC.in ├── 3BHET_9.1_trim.in ├── 3BHET_9.2_dimAB.in ├── 3BHET_9.2_dimAC.in ├── 3BHET_9.2_dimBC.in ├── 3BHET_9.2_monA.in ├── 3BHET_9.2_monB.in ├── 3BHET_9.2_monC.in ├── 3BHET_9.2_trim.in ├── 3_3_3-1_SW49.in ├── 3_4_1-1_SW49.in ├── 3_4_2-1_SW49.in ├── 3_5_1-1_SW49.in ├── 3_5_1-2_SW49.in ├── 3_5_1-3_SW49.in ├── 3_6_0-1_SW49.in ├── 3_6_0-2_SW49.in ├── 3_6_0-3_SW49.in ├── 3d4dIPSS_Ag_GS+.in ├── 3d4dIPSS_Ag_GS.in ├── 3d4dIPSS_Cd_GS+.in ├── 3d4dIPSS_Cd_GS.in ├── 3d4dIPSS_Co_ES+.in ├── 3d4dIPSS_Co_GS+.in ├── 3d4dIPSS_Co_GS.in ├── 3d4dIPSS_Cr_GS+.in ├── 3d4dIPSS_Cr_GS.in ├── 3d4dIPSS_Cu_ES+.in ├── 3d4dIPSS_Cu_ES.in ├── 3d4dIPSS_Cu_GS+.in ├── 3d4dIPSS_Cu_GS.in ├── 3d4dIPSS_Fe_GS+.in ├── 3d4dIPSS_Fe_GS.in ├── 3d4dIPSS_Mn_ES.in ├── 3d4dIPSS_Mn_GS+.in ├── 3d4dIPSS_Mn_GS.in ├── 3d4dIPSS_Mo_GS+.in ├── 3d4dIPSS_Mo_GS.in ├── 3d4dIPSS_Nb_GS+.in ├── 3d4dIPSS_Nb_GS.in ├── 3d4dIPSS_Ni_ES+.in ├── 3d4dIPSS_Ni_GS+.in ├── 3d4dIPSS_Ni_GS.in ├── 3d4dIPSS_Pd_ES.in ├── 3d4dIPSS_Pd_GS+.in ├── 3d4dIPSS_Pd_GS.in ├── 3d4dIPSS_Rh_GS+.in ├── 3d4dIPSS_Rh_GS.in ├── 3d4dIPSS_Ru_GS+.in ├── 3d4dIPSS_Ru_GS.in ├── 3d4dIPSS_Sc_ES.in ├── 3d4dIPSS_Sc_GS+.in ├── 3d4dIPSS_Sc_GS.in ├── 3d4dIPSS_Tc_GS+.in ├── 3d4dIPSS_Tc_GS.in ├── 3d4dIPSS_Ti_ES.in ├── 3d4dIPSS_Ti_GS+.in ├── 3d4dIPSS_Ti_GS.in ├── 3d4dIPSS_V_ES.in ├── 3d4dIPSS_V_GS+.in ├── 3d4dIPSS_V_GS.in ├── 3d4dIPSS_Y_ES.in ├── 3d4dIPSS_Y_GS+.in ├── 3d4dIPSS_Y_GS.in ├── 3d4dIPSS_Zn_ES.in ├── 3d4dIPSS_Zn_GS+.in ├── 3d4dIPSS_Zn_GS.in ├── 3d4dIPSS_Zr_ES.in ├── 3d4dIPSS_Zr_GS+.in ├── 3d4dIPSS_Zr_GS.in ├── 3prod1_CR20.in ├── 3prod2_CR20.in ├── 3prod_DIE60.in ├── 3react_CR20.in ├── 3react_CRBH20.in ├── 3react_DIE60.in ├── 3ts_CRBH20.in ├── 40_Ac-MeNH2_HB49.in ├── 40_C6H6_H2O_OH2__pi_dim_HW30.in ├── 40_C6H6_H2O_OH2__pi_monA_HW30.in ├── 40_C6H6_H2O_OH2__pi_monB_HW30.in ├── 40_H3N_AsF3_dim_Bauza30.in ├── 40_H3N_AsF3_monA_Bauza30.in ├── 40_H3N_AsF3_monB_Bauza30.in ├── 40_Isomer30_Styrene45.in ├── 40_Product15_EIE22.in ├── 40_Rxn3_Reactant_WCPT27.in ├── 40_UreaNrad_HNBrBDE18.in ├── 40prod_DIE60.in ├── 40react_DIE60.in ├── 4113_01WaterWater_dim_S66.in ├── 4113_01WaterWater_monA_S66.in ├── 4113_01WaterWater_monB_S66.in ├── 4114_02WaterMeOH_dim_S66.in ├── 4114_02WaterMeOH_monA_S66.in ├── 4114_02WaterMeOH_monB_S66.in ├── 4115_03WaterMeNH2_dim_S66.in ├── 4115_03WaterMeNH2_monA_S66.in ├── 4115_03WaterMeNH2_monB_S66.in ├── 4116_04WaterPeptide_dim_S66.in ├── 4116_04WaterPeptide_monA_S66.in ├── 4116_04WaterPeptide_monB_S66.in ├── 4117_05MeOHMeOH_dim_S66.in ├── 4117_05MeOHMeOH_monA_S66.in ├── 4117_05MeOHMeOH_monB_S66.in ├── 4118_06MeOHMeNH2_dim_S66.in ├── 4118_06MeOHMeNH2_monA_S66.in ├── 4118_06MeOHMeNH2_monB_S66.in ├── 4119_07MeOHPeptide_dim_S66.in ├── 4119_07MeOHPeptide_monA_S66.in ├── 4119_07MeOHPeptide_monB_S66.in ├── 4120_08MeOHWater_dim_S66.in ├── 4120_08MeOHWater_monA_S66.in ├── 4120_08MeOHWater_monB_S66.in ├── 4121_09MeNH2MeOH_dim_S66.in ├── 4121_09MeNH2MeOH_monA_S66.in ├── 4121_09MeNH2MeOH_monB_S66.in ├── 4122_10MeNH2MeNH2_dim_S66.in ├── 4122_10MeNH2MeNH2_monA_S66.in ├── 4122_10MeNH2MeNH2_monB_S66.in ├── 4123_11MeNH2Peptide_dim_S66.in ├── 4123_11MeNH2Peptide_monA_S66.in ├── 4123_11MeNH2Peptide_monB_S66.in ├── 4124_12MeNH2Water_dim_S66.in ├── 4124_12MeNH2Water_monA_S66.in ├── 4124_12MeNH2Water_monB_S66.in ├── 4125_13PeptideMeOH_dim_S66.in ├── 4125_13PeptideMeOH_monA_S66.in ├── 4125_13PeptideMeOH_monB_S66.in ├── 4126_14PeptideMeNH2_dim_S66.in ├── 4126_14PeptideMeNH2_monA_S66.in ├── 4126_14PeptideMeNH2_monB_S66.in ├── 4127_15PeptidePeptide_dim_S66.in ├── 4127_15PeptidePeptide_monA_S66.in ├── 4127_15PeptidePeptide_monB_S66.in ├── 4128_16PeptideWater_dim_S66.in ├── 4128_16PeptideWater_monA_S66.in ├── 4128_16PeptideWater_monB_S66.in ├── 4129_17UracilUracilBP_dim_S66.in ├── 4129_17UracilUracilBP_monA_S66.in ├── 4129_17UracilUracilBP_monB_S66.in ├── 4130_18WaterPyridine_dim_S66.in ├── 4130_18WaterPyridine_monA_S66.in ├── 4130_18WaterPyridine_monB_S66.in ├── 4131_19MeOHPyridine_dim_S66.in ├── 4131_19MeOHPyridine_monA_S66.in ├── 4131_19MeOHPyridine_monB_S66.in ├── 4132_20AcOHAcOH_dim_S66.in ├── 4132_20AcOHAcOH_monA_S66.in ├── 4132_20AcOHAcOH_monB_S66.in ├── 4133_21AcNH2AcNH2_dim_S66.in ├── 4133_21AcNH2AcNH2_monA_S66.in ├── 4133_21AcNH2AcNH2_monB_S66.in ├── 4134_22AcOHUracil_dim_S66.in ├── 4134_22AcOHUracil_monA_S66.in ├── 4134_22AcOHUracil_monB_S66.in ├── 4135_23AcNH2Uracil_dim_S66.in ├── 4135_23AcNH2Uracil_monA_S66.in ├── 4135_23AcNH2Uracil_monB_S66.in ├── 4136_24BenzeneBenzenepipi_dim_S66.in ├── 4136_24BenzeneBenzenepipi_monA_S66.in ├── 4136_24BenzeneBenzenepipi_monB_S66.in ├── 4137_25PyridinePyridinepipi_dim_S66.in ├── 4137_25PyridinePyridinepipi_monA_S66.in ├── 4137_25PyridinePyridinepipi_monB_S66.in ├── 4138_26UracilUracilpipi_dim_S66.in ├── 4138_26UracilUracilpipi_monA_S66.in ├── 4138_26UracilUracilpipi_monB_S66.in ├── 4139_27BenzenePyridinepipi_dim_S66.in ├── 4139_27BenzenePyridinepipi_monA_S66.in ├── 4139_27BenzenePyridinepipi_monB_S66.in ├── 4140_28BenzeneUracilpipi_dim_S66.in ├── 4140_28BenzeneUracilpipi_monA_S66.in ├── 4140_28BenzeneUracilpipi_monB_S66.in ├── 4141_29PyridineUracilpipi_dim_S66.in ├── 4141_29PyridineUracilpipi_monA_S66.in ├── 4141_29PyridineUracilpipi_monB_S66.in ├── 4142_30BenzeneEthene_dim_S66.in ├── 4142_30BenzeneEthene_monA_S66.in ├── 4142_30BenzeneEthene_monB_S66.in ├── 4143_31UracilEthene_dim_S66.in ├── 4143_31UracilEthene_monA_S66.in ├── 4143_31UracilEthene_monB_S66.in ├── 4144_32UracilEthyne_dim_S66.in ├── 4144_32UracilEthyne_monA_S66.in ├── 4144_32UracilEthyne_monB_S66.in ├── 4145_33PyridineEthene_dim_S66.in ├── 4145_33PyridineEthene_monA_S66.in ├── 4145_33PyridineEthene_monB_S66.in ├── 4146_34PentanePentane_dim_S66.in ├── 4146_34PentanePentane_monA_S66.in ├── 4146_34PentanePentane_monB_S66.in ├── 4147_35NeopentanePentane_dim_S66.in ├── 4147_35NeopentanePentane_monA_S66.in ├── 4147_35NeopentanePentane_monB_S66.in ├── 4148_36NeopentaneNeopentane_dim_S66.in ├── 4148_36NeopentaneNeopentane_monA_S66.in ├── 4148_36NeopentaneNeopentane_monB_S66.in ├── 4149_37CyclopentaneNeopentane_dim_S66.in ├── 4149_37CyclopentaneNeopentane_monA_S66.in ├── 4149_37CyclopentaneNeopentane_monB_S66.in ├── 4150_38CyclopentaneCyclopentane_dim_S66.in ├── 4150_38CyclopentaneCyclopentane_monA_S66.in ├── 4150_38CyclopentaneCyclopentane_monB_S66.in ├── 4151_39BenzeneCyclopentane_dim_S66.in ├── 4151_39BenzeneCyclopentane_monA_S66.in ├── 4151_39BenzeneCyclopentane_monB_S66.in ├── 4152_40BenzeneNeopentane_dim_S66.in ├── 4152_40BenzeneNeopentane_monA_S66.in ├── 4152_40BenzeneNeopentane_monB_S66.in ├── 4153_41UracilPentane_dim_S66.in ├── 4153_41UracilPentane_monA_S66.in ├── 4153_41UracilPentane_monB_S66.in ├── 4154_42UracilCyclopentane_dim_S66.in ├── 4154_42UracilCyclopentane_monA_S66.in ├── 4154_42UracilCyclopentane_monB_S66.in ├── 4155_43UracilNeopentane_dim_S66.in ├── 4155_43UracilNeopentane_monA_S66.in ├── 4155_43UracilNeopentane_monB_S66.in ├── 4156_44EthenePentane_dim_S66.in ├── 4156_44EthenePentane_monA_S66.in ├── 4156_44EthenePentane_monB_S66.in ├── 4157_45EthynePentane_dim_S66.in ├── 4157_45EthynePentane_monA_S66.in ├── 4157_45EthynePentane_monB_S66.in ├── 4158_46PeptidePentane_dim_S66.in ├── 4158_46PeptidePentane_monA_S66.in ├── 4158_46PeptidePentane_monB_S66.in ├── 4159_47BenzeneBenzeneTS_dim_S66.in ├── 4159_47BenzeneBenzeneTS_monA_S66.in ├── 4159_47BenzeneBenzeneTS_monB_S66.in ├── 4160_48PyridinePyridineTS_dim_S66.in ├── 4160_48PyridinePyridineTS_monA_S66.in ├── 4160_48PyridinePyridineTS_monB_S66.in ├── 4161_49BenzenePyridineTS_dim_S66.in ├── 4161_49BenzenePyridineTS_monA_S66.in ├── 4161_49BenzenePyridineTS_monB_S66.in ├── 4162_50BenzeneEthyneCHpi_dim_S66.in ├── 4162_50BenzeneEthyneCHpi_monA_S66.in ├── 4162_50BenzeneEthyneCHpi_monB_S66.in ├── 4163_51EthyneEthyneTS_dim_S66.in ├── 4163_51EthyneEthyneTS_monA_S66.in ├── 4163_51EthyneEthyneTS_monB_S66.in ├── 4164_52BenzeneAcOHOHpi_dim_S66.in ├── 4164_52BenzeneAcOHOHpi_monA_S66.in ├── 4164_52BenzeneAcOHOHpi_monB_S66.in ├── 4165_53BenzeneAcNH2NHpi_dim_S66.in ├── 4165_53BenzeneAcNH2NHpi_monA_S66.in ├── 4165_53BenzeneAcNH2NHpi_monB_S66.in ├── 4166_54BenzeneWaterOHpi_dim_S66.in ├── 4166_54BenzeneWaterOHpi_monA_S66.in ├── 4166_54BenzeneWaterOHpi_monB_S66.in ├── 4167_55BenzeneMeOHOHpi_dim_S66.in ├── 4167_55BenzeneMeOHOHpi_monA_S66.in ├── 4167_55BenzeneMeOHOHpi_monB_S66.in ├── 4168_56BenzeneMeNH2NHpi_dim_S66.in ├── 4168_56BenzeneMeNH2NHpi_monA_S66.in ├── 4168_56BenzeneMeNH2NHpi_monB_S66.in ├── 4169_57BenzenePeptideNHpi_dim_S66.in ├── 4169_57BenzenePeptideNHpi_monA_S66.in ├── 4169_57BenzenePeptideNHpi_monB_S66.in ├── 4170_58PyridinePyridineCHN_dim_S66.in ├── 4170_58PyridinePyridineCHN_monA_S66.in ├── 4170_58PyridinePyridineCHN_monB_S66.in ├── 4171_59EthyneWaterCHO_dim_S66.in ├── 4171_59EthyneWaterCHO_monA_S66.in ├── 4171_59EthyneWaterCHO_monB_S66.in ├── 4172_60EthyneAcOHOHpi_dim_S66.in ├── 4172_60EthyneAcOHOHpi_monA_S66.in ├── 4172_60EthyneAcOHOHpi_monB_S66.in ├── 4173_61PentaneAcOH_dim_S66.in ├── 4173_61PentaneAcOH_monA_S66.in ├── 4173_61PentaneAcOH_monB_S66.in ├── 4174_62PentaneAcNH2_dim_S66.in ├── 4174_62PentaneAcNH2_monA_S66.in ├── 4174_62PentaneAcNH2_monB_S66.in ├── 4175_63BenzeneAcOH_dim_S66.in ├── 4175_63BenzeneAcOH_monA_S66.in ├── 4175_63BenzeneAcOH_monB_S66.in ├── 4176_64PeptideEthene_dim_S66.in ├── 4176_64PeptideEthene_monA_S66.in ├── 4176_64PeptideEthene_monB_S66.in ├── 4177_65PyridineEthyne_dim_S66.in ├── 4177_65PyridineEthyne_monA_S66.in ├── 4177_65PyridineEthyne_monB_S66.in ├── 4178_66MeNH2Pyridine_dim_S66.in ├── 4178_66MeNH2Pyridine_monA_S66.in ├── 4178_66MeNH2Pyridine_monB_S66.in ├── 4179_water2Cs_Shields38.in ├── 4180_water3UUD_Shields38.in ├── 4181_water3UUU_Shields38.in ├── 4182_water4S4_Shields38.in ├── 4183_water4Ci_Shields38.in ├── 4184_water4Py_Shields38.in ├── 4185_water5CYC_Shields38.in ├── 4186_water5CAA_Shields38.in ├── 4187_water5CAB_Shields38.in ├── 4188_water5CAC_Shields38.in ├── 4189_water5FRA_Shields38.in ├── 4190_water5FRB_Shields38.in ├── 4191_water5FRC_Shields38.in ├── 4192_water6BAG_Shields38.in ├── 4193_water6BK1_Shields38.in ├── 4194_water6BK2_Shields38.in ├── 4195_water6CA_Shields38.in ├── 4196_water6CB1_Shields38.in ├── 4197_water6CB2_Shields38.in ├── 4198_water6CC_Shields38.in ├── 4199_water6PR_Shields38.in ├── 41_Ac-MeOH_HB49.in ├── 41_BrBr_pyr_XB51.in ├── 41_CHO2NBr_HNBrBDE18.in ├── 41_Isomer31_Styrene45.in ├── 41_Reactant16_EIE22.in ├── 41prod_DIE60.in ├── 41react_DIE60.in ├── 4200_water7PR3_Shields38.in ├── 4201_water7BI2_Shields38.in ├── 4202_water7BI1_Shields38.in ├── 4203_water7PR1_Shields38.in ├── 4204_water7CH3_Shields38.in ├── 4205_water7CH2_Shields38.in ├── 4206_water7CA2_Shields38.in ├── 4207_water7HM1_Shields38.in ├── 4208_water7CA1_Shields38.in ├── 4209_water7PR2_Shields38.in ├── 4210_water7CH1_Shields38.in ├── 4211_water8D2d_Shields38.in ├── 4212_water8S4_Shields38.in ├── 4213_water9D2dDD_Shields38.in ├── 4214_water9S4DA_Shields38.in ├── 4215_water10PP1_Shields38.in ├── 4216_water10PP2_Shields38.in ├── 4217_waterC2v_Shields38.in ├── 42_AcNH2_HB49.in ├── 42_CHO2Nrad_HNBrBDE18.in ├── 42_H2_BH76.in ├── 42_Isomer32_Styrene45.in ├── 42_Product16_EIE22.in ├── 42_Rxn5_Reactant_WCPT27.in ├── 42prod_DIE60.in ├── 42react_DIE60.in ├── 43_AcNH2AcNH2_HB49.in ├── 43_H2C_NBr_HNBrBDE18.in ├── 43_H2O_BH76.in ├── 43_Isomer33_Styrene45.in ├── 43_Reactant17_EIE22.in ├── 43prod_DIE60.in ├── 43react_DIE60.in ├── 44_AcOH_HB49.in ├── 44_H2C_Nrad_HNBrBDE18.in ├── 44_H2S_BH76.in ├── 44_Isomer34_Styrene45.in ├── 44_Product17_EIE22.in ├── 44_Rxn7_Reactant_WCPT27.in ├── 44prod_DIE60.in ├── 44react_DIE60.in ├── 45_AcOHAcOH_HB49.in ├── 45_Isomer35_Styrene45.in ├── 45_MeCH_NBr_HNBrBDE18.in ├── 45_Reactant18_EIE22.in ├── 45_Rxn8_Reactant_WCPT27.in ├── 45_hclhts_BH76.in ├── 45prod_DIE60.in ├── 45react_DIE60.in ├── 46_EtAc_HB49.in ├── 46_Isomer36_Styrene45.in ├── 46_MeCH_Nrad_HNBrBDE18.in ├── 46_Product18_EIE22.in ├── 46_Rxn9_Reactant_WCPT27.in ├── 46_hcl_lower_BH76.in ├── 46prod_DIE60.in ├── 46react_DIE60.in ├── 47_Br_HNBrBDE18.in ├── 47_EtAcEtAc_HB49.in ├── 47_Isomer37_Styrene45.in ├── 47_Reactant19_EIE22.in ├── 47_Rxn1_Product_WCPT27.in ├── 47prod_DIE60.in ├── 47react_DIE60.in ├── 48_Formald_HB49.in ├── 48_Isomer38_Styrene45.in ├── 48_Product19_EIE22.in ├── 48_Rxn2_Product_WCPT27.in ├── 48_hcn_BH76.in ├── 48prod_DIE60.in ├── 48react_DIE60.in ├── 49_FormaldFormald_HB49.in ├── 49_Isomer39_Styrene45.in ├── 49_Reactant20_EIE22.in ├── 49_Rxn3_Product_WCPT27.in ├── 49_hcnts_BH76.in ├── 49prod_DIE60.in ├── 49react_DIE60.in ├── 4_4_4-1_SW49.in ├── 4_5_3-1_SW49.in ├── 4_5_3-2_SW49.in ├── 4_6_2-1_SW49.in ├── 4_6_2-2_SW49.in ├── 4_7_1-1_SW49.in ├── 4_7_1-2_SW49.in ├── 4_8_0-1_SW49.in ├── 4_8_0-2_SW49.in ├── 4_8_0-3_SW49.in ├── 4prod1_CR20.in ├── 4prod2_CR20.in ├── 4prod_DIE60.in ├── 4react_CR20.in ├── 4react_CRBH20.in ├── 4react_DIE60.in ├── 4ts_CRBH20.in ├── 50_Guand_HB49.in ├── 50_Isomer40_Styrene45.in ├── 50_Product20_EIE22.in ├── 50_Rxn4_Product_WCPT27.in ├── 50prod_DIE60.in ├── 50react_DIE60.in ├── 51_GuandFormald_HB49.in ├── 51_Reactant21_EIE22.in ├── 51_Rxn5_Product_WCPT27.in ├── 51prod_DIE60.in ├── 51react_DIE60.in ├── 52_GuandH2O_HB49.in ├── 52_Isomer42_Styrene45.in ├── 52_Product21_EIE22.in ├── 52_Rxn6_Product_WCPT27.in ├── 52prod_DIE60.in ├── 52react_DIE60.in ├── 53_GuandMeNH2_HB49.in ├── 53_Isomer43_Styrene45.in ├── 53_Reactant22_EIE22.in ├── 53_Rxn7_Product_WCPT27.in ├── 53prod_DIE60.in ├── 53react_DIE60.in ├── 54_GuandMeOH_HB49.in ├── 54_Isomer44_Styrene45.in ├── 54_Product22_EIE22.in ├── 54_Rxn8_Product_WCPT27.in ├── 54prod_DIE60.in ├── 54react_DIE60.in ├── 55_H2OMeNH2_HB49.in ├── 55_Isomer45_Styrene45.in ├── 55_Rxn9_Product_WCPT27.in ├── 55prod_DIE60.in ├── 55react_DIE60.in ├── 56_H2OMeOH_HB49.in ├── 56_Water_WCPT27.in ├── 56prod_DIE60.in ├── 56react_DIE60.in ├── 57_H2OPeptide_HB49.in ├── 57_h_lower_BH76.in ├── 57prod_DIE60.in ├── 57react_DIE60.in ├── 58_Imd_HB49.in ├── 58_hn2_BH76.in ├── 58prod_DIE60.in ├── 58react_DIE60.in ├── 59_ImdFormald_HB49.in ├── 59_hn2ts_BH76.in ├── 59prod_DIE60.in ├── 59react_DIE60.in ├── 5_10_0-1_SW49.in ├── 5_6_4-1_SW49.in ├── 5_6_4-2_SW49.in ├── 5_6_4-3_SW49.in ├── 5_6_4-4_SW49.in ├── 5_6_4-5_SW49.in ├── 5_6_4-6_SW49.in ├── 5_6_4-7_SW49.in ├── 5_6_4-8_SW49.in ├── 5_7_3-1_SW49.in ├── 5_7_3-2_SW49.in ├── 5_9_1-1_SW49.in ├── 5prod1_CR20.in ├── 5prod2_CR20.in ├── 5prod_DIE60.in ├── 5react_CR20.in ├── 5react_CRBH20.in ├── 5react_DIE60.in ├── 5ts_CRBH20.in ├── 60_ImdH2O_HB49.in ├── 60_hnc_BH76.in ├── 60prod_DIE60.in ├── 60react_DIE60.in ├── 61_ImdMeNH2_HB49.in ├── 62_BrBr_XB51.in ├── 62_ImdMeOH_HB49.in ├── 63_MeNH2_HB49.in ├── 63_hoch3fts_BH76.in ├── 64_FBr_XB51.in ├── 64_HS_BH76.in ├── 64_MeNH2H2O_HB49.in ├── 65_FCl_XB51.in ├── 65_H_upper_BH76.in ├── 65_MeNH2MeNH2_HB49.in ├── 66_MeNH2MeOH_HB49.in ├── 66_n2_BH76.in ├── 67_MeNH2Peptide_HB49.in ├── 67_n2o_BH76.in ├── 68_MeNH3_HB49.in ├── 68_NBS_XB51.in ├── 68_n2ohts_BH76.in ├── 69_MeNH3Formald_HB49.in ├── 6prod1_CR20.in ├── 6prod2_CR20.in ├── 6prod_DIE60.in ├── 6react_CR20.in ├── 6react_CRBH20.in ├── 6react_DIE60.in ├── 6ts_CRBH20.in ├── 70_MeNH3H2O_HB49.in ├── 70_PhBr_XB51.in ├── 71_MeNH3MeNH2_HB49.in ├── 72_FCCH_XB51.in ├── 72_MeNH3MeOH_HB49.in ├── 72_O_BH76.in ├── 73_FMe_XB51.in ├── 73_MeOH_HB49.in ├── 73_oh-_BH76.in ├── 74_MeOHH2O_HB49.in ├── 74_oh_lower_BH76.in ├── 75_MeOHMeNH2_HB49.in ├── 75_NCH_XB51.in ├── 75_OH_upper_BH76.in ├── 76_MeOHMeOH_HB49.in ├── 76_NH3_XB51.in ├── 77_MeOHPeptide_HB49.in ├── 78_OPH3_XB51.in ├── 78_Peptide_HB49.in ├── 79_PCH_XB51.in ├── 79_PeptideH2O_HB49.in ├── 7prod1_CR20.in ├── 7prod2_CR20.in ├── 7prod_DIE60.in ├── 7react_CR20.in ├── 7react_CRBH20.in ├── 7react_DIE60.in ├── 7ts_CRBH20.in ├── 80_PeptideMeNH2_HB49.in ├── 81_PeptideMeOH_HB49.in ├── 81_RKT04_BH76.in ├── 81_pyr_XB51.in ├── 89_RKT14_BH76.in ├── 8prod1_CR20.in ├── 8prod2_CR20.in ├── 8prod_DIE60.in ├── 8react_CR20.in ├── 8react_CRBH20.in ├── 8react_DIE60.in ├── 8ts_CRBH20.in ├── 90_RKT16_BH76.in ├── 9prod1_CR20.in ├── 9prod2_CR20.in ├── 9prod_DIE60.in ├── 9react_CR20.in ├── 9react_CRBH20.in ├── 9react_DIE60.in ├── 9ts_CRBH20.in ├── ACONF_B_G.in ├── ACONF_B_T.in ├── ACONF_H_g+t+g-.in ├── ACONF_H_g+x-g-.in ├── ACONF_H_g+x-t+.in ├── ACONF_H_ggg.in ├── ACONF_H_gtg.in ├── ACONF_H_gtt.in ├── ACONF_H_t+g+x-.in ├── ACONF_H_tgg.in ├── ACONF_H_tgt.in ├── ACONF_H_ttt.in ├── ACONF_H_x+g-g-.in ├── ACONF_H_x+g-x+.in ├── ACONF_P_GG.in ├── ACONF_P_GX.in ├── ACONF_P_TG.in ├── ACONF_P_TT.in ├── ADIM6_AD2.in ├── ADIM6_AD3.in ├── ADIM6_AD4.in ├── ADIM6_AD5.in ├── ADIM6_AD6.in ├── ADIM6_AD7.in ├── ADIM6_AM2.in ├── ADIM6_AM3.in ├── ADIM6_AM4.in ├── ADIM6_AM5.in ├── ADIM6_AM6.in ├── ADIM6_AM7.in ├── AE11_Ba.in ├── AE11_Ca.in ├── AE11_Cd.in ├── AE11_Hg.in ├── AE11_Kr.in ├── AE11_Pd.in ├── AE11_Rn.in ├── AE11_Sr.in ├── AE11_Xe.in ├── AE11_Yb.in ├── AE11_Zn.in ├── AHB21_1.in ├── AHB21_10.in ├── AHB21_10A.in ├── AHB21_10B.in ├── AHB21_11.in ├── AHB21_11A.in ├── AHB21_11B.in ├── AHB21_12.in ├── AHB21_12A.in ├── AHB21_12B.in ├── AHB21_13.in ├── AHB21_13A.in ├── AHB21_13B.in ├── AHB21_14.in ├── AHB21_14A.in ├── AHB21_14B.in ├── AHB21_15.in ├── AHB21_15A.in ├── AHB21_15B.in ├── AHB21_16.in ├── AHB21_16A.in ├── AHB21_16B.in ├── AHB21_17.in ├── AHB21_17A.in ├── AHB21_17B.in ├── AHB21_18.in ├── AHB21_18A.in ├── AHB21_18B.in ├── AHB21_19.in ├── AHB21_19A.in ├── AHB21_19B.in ├── AHB21_1A.in ├── AHB21_1B.in ├── AHB21_2.in ├── AHB21_20.in ├── AHB21_20A.in ├── AHB21_20B.in ├── AHB21_21.in ├── AHB21_21A.in ├── AHB21_21B.in ├── AHB21_2A.in ├── AHB21_2B.in ├── AHB21_3.in ├── AHB21_3A.in ├── AHB21_3B.in ├── AHB21_4.in ├── AHB21_4A.in ├── AHB21_4B.in ├── AHB21_5.in ├── AHB21_5A.in ├── AHB21_5B.in ├── AHB21_6.in ├── AHB21_6A.in ├── AHB21_6B.in ├── AHB21_7.in ├── AHB21_7A.in ├── AHB21_7B.in ├── AHB21_8.in ├── AHB21_8A.in ├── AHB21_8B.in ├── AHB21_9.in ├── AHB21_9A.in ├── AHB21_9B.in ├── AL2X6_al2cl6.in ├── AL2X6_al2f6.in ├── AL2X6_al2h6.in ├── AL2X6_al2me4.in ├── AL2X6_al2me5.in ├── AL2X6_al2me6.in ├── AL2X6_alcl3.in ├── AL2X6_alf3.in ├── AL2X6_alh3.in ├── AL2X6_alme2.in ├── AL2X6_alme3.in ├── ALK8_li+.in ├── ALK8_li2.in ├── ALK8_li2_ch2n_2.in ├── ALK8_li2_ch4.in ├── ALK8_li3_me.in ├── ALK8_li4_c.in ├── ALK8_li4_me4.in ├── ALK8_li5_ch.in ├── ALK8_li8.in ├── ALK8_li_ch2n.in ├── ALK8_li_h.in ├── ALK8_li_me.in ├── ALK8_li_na_h2.in ├── ALK8_na+.in ├── ALK8_na2.in ├── ALK8_na2_h2.in ├── ALK8_na8.in ├── ALKBDE10_be.in ├── ALKBDE10_bef.in ├── ALKBDE10_beo.in ├── ALKBDE10_ca.in ├── ALKBDE10_cao.in ├── ALKBDE10_f.in ├── ALKBDE10_h.in ├── ALKBDE10_hf.in ├── ALKBDE10_k.in ├── ALKBDE10_kf.in ├── ALKBDE10_li.in ├── ALKBDE10_lif.in ├── ALKBDE10_lio.in ├── ALKBDE10_mg.in ├── ALKBDE10_mgo.in ├── ALKBDE10_mgs.in ├── ALKBDE10_na.in ├── ALKBDE10_nao.in ├── ALKBDE10_o.in ├── ALKBDE10_s.in ├── Amino20x4_ALA_xab.in ├── Amino20x4_ALA_xac.in ├── Amino20x4_ALA_xag.in ├── Amino20x4_ALA_xai.in ├── Amino20x4_ALA_xak.in ├── Amino20x4_ARG_xak.in ├── Amino20x4_ARG_xbv.in ├── Amino20x4_ARG_xbx.in ├── Amino20x4_ARG_xby.in ├── Amino20x4_ARG_xci.in ├── Amino20x4_ASN_xab.in ├── Amino20x4_ASN_xae.in ├── Amino20x4_ASN_xaf.in ├── Amino20x4_ASN_xah.in ├── Amino20x4_ASN_xaj.in ├── Amino20x4_ASP_xad.in ├── Amino20x4_ASP_xau.in ├── Amino20x4_ASP_xay.in ├── Amino20x4_ASP_xaz.in ├── Amino20x4_ASP_xbc.in ├── Amino20x4_CYS_xag.in ├── Amino20x4_CYS_xah.in ├── Amino20x4_CYS_xai.in ├── Amino20x4_CYS_xal.in ├── Amino20x4_CYS_xao.in ├── Amino20x4_GLN_xai.in ├── Amino20x4_GLN_xal.in ├── Amino20x4_GLN_xan.in ├── Amino20x4_GLN_xap.in ├── Amino20x4_GLN_xat.in ├── Amino20x4_GLU_xad.in ├── Amino20x4_GLU_xal.in ├── Amino20x4_GLU_xar.in ├── Amino20x4_GLU_xav.in ├── Amino20x4_GLU_xbi.in ├── Amino20x4_GLY_xab.in ├── Amino20x4_GLY_xac.in ├── Amino20x4_GLY_xad.in ├── Amino20x4_GLY_xae.in ├── Amino20x4_GLY_xag.in ├── Amino20x4_HIS_xah.in ├── Amino20x4_HIS_xam.in ├── Amino20x4_HIS_xaq.in ├── Amino20x4_HIS_xau.in ├── Amino20x4_HIS_xav.in ├── Amino20x4_ILE_xae.in ├── Amino20x4_ILE_xag.in ├── Amino20x4_ILE_xaj.in ├── Amino20x4_ILE_xak.in ├── Amino20x4_ILE_xaq.in ├── Amino20x4_LEU_xad.in ├── Amino20x4_LEU_xae.in ├── Amino20x4_LEU_xap.in ├── Amino20x4_LEU_xaq.in ├── Amino20x4_LEU_xbb.in ├── Amino20x4_LYS_xan.in ├── Amino20x4_LYS_xao.in ├── Amino20x4_LYS_xap.in ├── Amino20x4_LYS_xas.in ├── Amino20x4_LYS_xat.in ├── Amino20x4_MET_xag.in ├── Amino20x4_MET_xav.in ├── Amino20x4_MET_xbf.in ├── Amino20x4_MET_xbm.in ├── Amino20x4_MET_xbo.in ├── Amino20x4_PHE_xab.in ├── Amino20x4_PHE_xal.in ├── Amino20x4_PHE_xan.in ├── Amino20x4_PHE_xar.in ├── Amino20x4_PHE_xaw.in ├── Amino20x4_PRO_xab.in ├── Amino20x4_PRO_xac.in ├── Amino20x4_PRO_xad.in ├── Amino20x4_PRO_xae.in ├── Amino20x4_PRO_xaf.in ├── Amino20x4_SER_xad.in ├── Amino20x4_SER_xaf.in ├── Amino20x4_SER_xah.in ├── Amino20x4_SER_xak.in ├── Amino20x4_SER_xar.in ├── Amino20x4_THR_xab.in ├── Amino20x4_THR_xag.in ├── Amino20x4_THR_xah.in ├── Amino20x4_THR_xal.in ├── Amino20x4_THR_xaq.in ├── Amino20x4_TRP_xac.in ├── Amino20x4_TRP_xaf.in ├── Amino20x4_TRP_xag.in ├── Amino20x4_TRP_xah.in ├── Amino20x4_TRP_xao.in ├── Amino20x4_TYR_xab.in ├── Amino20x4_TYR_xag.in ├── Amino20x4_TYR_xah.in ├── Amino20x4_TYR_xan.in ├── Amino20x4_TYR_xar.in ├── Amino20x4_VAL_xad.in ├── Amino20x4_VAL_xaf.in ├── Amino20x4_VAL_xah.in ├── Amino20x4_VAL_xaj.in ├── Amino20x4_VAL_xak.in ├── BH28_BHDIV_1_min.in ├── BH28_BHDIV_1_ts.in ├── BH28_BHDIV_2_min.in ├── BH28_BHDIV_2_ts.in ├── BH28_BHDIV_3_min.in ├── BH28_BHDIV_3_ts.in ├── BH28_BHPERI_1_min.in ├── BH28_BHPERI_1_ts.in ├── BH28_BHPERI_2_min.in ├── BH28_BHPERI_2_ts.in ├── BH28_BHPERI_3_min.in ├── BH28_BHPERI_3_ts.in ├── BH28_BHPERI_4_min.in ├── BH28_BHPERI_4_ts.in ├── BH28_BHPERI_5_min.in ├── BH28_BHPERI_5_ts.in ├── BH28_BHPERI_6_min.in ├── BH28_BHPERI_6_ts.in ├── BH28_CADBH_1_min.in ├── BH28_CADBH_1_ts.in ├── BH28_CADBH_2_min.in ├── BH28_CADBH_2_ts.in ├── BH28_CADBH_3_min.in ├── BH28_CADBH_3_ts.in ├── BH28_CADBH_4_min.in ├── BH28_CADBH_4_ts.in ├── BH28_CADBH_5_min.in ├── BH28_CADBH_5_ts.in ├── BH28_CADBH_6_min.in ├── BH28_CADBH_6_ts.in ├── BH28_CADBH_7_min.in ├── BH28_CADBH_7_ts.in ├── BH28_CADBH_8_min.in ├── BH28_CADBH_8_ts.in ├── BH28_CADBH_9_min.in ├── BH28_CADBH_9_ts.in ├── BH28_CADBH_c2h4.in ├── BH28_CRBH_1_min.in ├── BH28_CRBH_1_ts.in ├── BH28_CRBH_2_min.in ├── BH28_CRBH_2_ts.in ├── BH28_CRBH_3_min.in ├── BH28_CRBH_3_ts.in ├── BH28_CRBH_4_min.in ├── BH28_CRBH_4_ts.in ├── BH28_CRBH_5_min.in ├── BH28_CRBH_5_ts.in ├── BH28_CRBH_6_min.in ├── BH28_CRBH_6_ts.in ├── BH28_PXBH_1_min.in ├── BH28_PXBH_1_ts.in ├── BH28_PXBH_2_min.in ├── BH28_PXBH_2_ts.in ├── BH28_PXBH_3_min.in ├── BH28_PXBH_3_ts.in ├── BH28_PXBH_4_min.in ├── BH28_PXBH_4_ts.in ├── BH76_C2H5.in ├── BH76_C2H6.in ├── BH76_C5H8.in ├── BH76_CH3.in ├── BH76_CH3OH.in ├── BH76_CH4.in ├── BH76_Cl.in ├── BH76_F.in ├── BH76_H.in ├── BH76_H2.in ├── BH76_H2O.in ├── BH76_H2S.in ├── BH76_HCl.in ├── BH76_HF.in ├── BH76_HS.in ├── BH76_NH.in ├── BH76_NH2.in ├── BH76_NH3.in ├── BH76_O.in ├── BH76_OH.in ├── BH76_PH2.in ├── BH76_PH3.in ├── BH76_RKT01.in ├── BH76_RKT02.in ├── BH76_RKT03.in ├── BH76_RKT06.in ├── BH76_RKT07.in ├── BH76_RKT08.in ├── BH76_RKT09.in ├── BH76_RKT10.in ├── BH76_RKT11.in ├── BH76_RKT12.in ├── BH76_RKT17.in ├── BH76_RKT18.in ├── BH76_RKT19.in ├── BH76_RKT20.in ├── BH76_RKT21.in ├── BH76_RKT22.in ├── BH76_c2h4.in ├── BH76_c3h7.in ├── BH76_c3h7ts.in ├── BH76_ch3cl.in ├── BH76_ch3f.in ├── BH76_cl-.in ├── BH76_clch3clts.in ├── BH76_clf.in ├── BH76_co.in ├── BH76_f-.in ├── BH76_f2.in ├── BH76_fch3clcomp1.in ├── BH76_fch3clcomp2.in ├── BH76_fch3clts.in ├── BH76_fch3fcomp.in ├── BH76_fch3fts.in ├── BH76_hcn.in ├── BH76_hco.in ├── BH76_hcots.in ├── BH76_hf2ts.in ├── BH76_hfch3ts.in ├── BH76_hfhts.in ├── BH76_hn2.in ├── BH76_hnc.in ├── BH76_hoch3fcomp1.in ├── BH76_hoch3fcomp2.in ├── BH76_hoch3fts.in ├── BH76_n2.in ├── BH76_n2o.in ├── BH76_oh-.in ├── BH9_01_10P.in ├── BH9_01_10R.in ├── BH9_01_10TS.in ├── BH9_01_11P.in ├── BH9_01_11R.in ├── BH9_01_11TS.in ├── BH9_01_12P.in ├── BH9_01_12R.in ├── BH9_01_12TS.in ├── BH9_01_13P.in ├── BH9_01_13R.in ├── BH9_01_13TS.in ├── BH9_01_14P.in ├── BH9_01_14R.in ├── BH9_01_14TS.in ├── BH9_01_15P.in ├── BH9_01_15R.in ├── BH9_01_15TS.in ├── BH9_01_16P.in ├── BH9_01_16R.in ├── BH9_01_16TS.in ├── BH9_01_17P.in ├── BH9_01_17R.in ├── BH9_01_17TS.in ├── BH9_01_18P.in ├── BH9_01_18R.in ├── BH9_01_18TS.in ├── BH9_01_19P.in ├── BH9_01_19R.in ├── BH9_01_19TS.in ├── BH9_01_1P.in ├── BH9_01_1R.in ├── BH9_01_1TS.in ├── BH9_01_20P.in ├── BH9_01_20R.in ├── BH9_01_20TS.in ├── BH9_01_21P.in ├── BH9_01_21R.in ├── BH9_01_21TS.in ├── BH9_01_22P.in ├── BH9_01_22R.in ├── BH9_01_22TS.in ├── BH9_01_23P.in ├── BH9_01_23R.in ├── BH9_01_23TS.in ├── BH9_01_24P.in ├── BH9_01_24R.in ├── BH9_01_24TS.in ├── BH9_01_25P.in ├── BH9_01_25R.in ├── BH9_01_25TS.in ├── BH9_01_26P.in ├── BH9_01_26R.in ├── BH9_01_26TS.in ├── BH9_01_27P.in ├── BH9_01_27R.in ├── BH9_01_27TS.in ├── BH9_01_28P.in ├── BH9_01_28R.in ├── BH9_01_28TS.in ├── BH9_01_29P.in ├── BH9_01_29R.in ├── BH9_01_29TS.in ├── BH9_01_2P.in ├── BH9_01_2R.in ├── BH9_01_2TS.in ├── BH9_01_30P.in ├── BH9_01_30R.in ├── BH9_01_30TS.in ├── BH9_01_31P.in ├── BH9_01_31R.in ├── BH9_01_31TS.in ├── BH9_01_32P.in ├── BH9_01_32R.in ├── BH9_01_32TS.in ├── BH9_01_33P.in ├── BH9_01_33R.in ├── BH9_01_33TS.in ├── BH9_01_34P.in ├── BH9_01_34R.in ├── BH9_01_34TS.in ├── BH9_01_35P.in ├── BH9_01_35R.in ├── BH9_01_35TS.in ├── BH9_01_36P.in ├── BH9_01_36R.in ├── BH9_01_36TS.in ├── BH9_01_37P.in ├── BH9_01_37R.in ├── BH9_01_37TS.in ├── BH9_01_38P.in ├── BH9_01_38R.in ├── BH9_01_38TS.in ├── BH9_01_39P.in ├── BH9_01_39R.in ├── BH9_01_39TS.in ├── BH9_01_3P.in ├── BH9_01_3R.in ├── BH9_01_3TS.in ├── BH9_01_40P.in ├── BH9_01_40R.in ├── BH9_01_40TS.in ├── BH9_01_41P.in ├── BH9_01_41R.in ├── BH9_01_41TS.in ├── BH9_01_42P.in ├── BH9_01_42R.in ├── BH9_01_42TS.in ├── BH9_01_43P.in ├── BH9_01_43R.in ├── BH9_01_43TS.in ├── BH9_01_44P.in ├── BH9_01_44R.in ├── BH9_01_44TS.in ├── BH9_01_45P.in ├── BH9_01_45R.in ├── BH9_01_45TS.in ├── BH9_01_46P.in ├── BH9_01_46R1.in ├── BH9_01_46R2.in ├── BH9_01_46TS.in ├── BH9_01_47P.in ├── BH9_01_47R.in ├── BH9_01_47TS.in ├── BH9_01_48P.in ├── BH9_01_48R1.in ├── BH9_01_48R2.in ├── BH9_01_48TS.in ├── BH9_01_4P.in ├── BH9_01_4R.in ├── BH9_01_4TS.in ├── BH9_01_5P.in ├── BH9_01_5R.in ├── BH9_01_5TS.in ├── BH9_01_6P.in ├── BH9_01_6R.in ├── BH9_01_6TS.in ├── BH9_01_7P.in ├── BH9_01_7R.in ├── BH9_01_7TS.in ├── BH9_01_8P.in ├── BH9_01_8R.in ├── BH9_01_8TS.in ├── BH9_01_9P.in ├── BH9_01_9R1.in ├── BH9_01_9R2.in ├── BH9_01_9TS.in ├── BH9_02_100P.in ├── BH9_02_100R.in ├── BH9_02_100TS.in ├── BH9_02_101P.in ├── BH9_02_101R.in ├── BH9_02_101TS.in ├── BH9_02_102P.in ├── BH9_02_102R.in ├── BH9_02_102TS.in ├── BH9_02_103P.in ├── BH9_02_103R.in ├── BH9_02_103TS.in ├── BH9_02_104P.in ├── BH9_02_104R.in ├── BH9_02_104TS.in ├── BH9_02_105P.in ├── BH9_02_105R.in ├── BH9_02_105TS.in ├── BH9_02_106P.in ├── BH9_02_106R1.in ├── BH9_02_106R2.in ├── BH9_02_106TS.in ├── BH9_02_107P.in ├── BH9_02_107TS.in ├── BH9_02_108P.in ├── BH9_02_108TS.in ├── BH9_02_109P.in ├── BH9_02_109R.in ├── BH9_02_109TS.in ├── BH9_02_10P.in ├── BH9_02_10R.in ├── BH9_02_10TS.in ├── BH9_02_110P.in ├── BH9_02_110TS.in ├── BH9_02_111P.in ├── BH9_02_111R.in ├── BH9_02_111TS.in ├── BH9_02_112P.in ├── BH9_02_112R1.in ├── BH9_02_112R2.in ├── BH9_02_112TS.in ├── BH9_02_113P.in ├── BH9_02_113TS.in ├── BH9_02_114P.in ├── BH9_02_114TS.in ├── BH9_02_115P.in ├── BH9_02_115R1.in ├── BH9_02_115R2.in ├── BH9_02_115TS.in ├── BH9_02_116P.in ├── BH9_02_116TS.in ├── BH9_02_117P.in ├── BH9_02_117TS.in ├── BH9_02_118P.in ├── BH9_02_118R.in ├── BH9_02_118TS.in ├── BH9_02_119P.in ├── BH9_02_119R.in ├── BH9_02_119TS.in ├── BH9_02_11P.in ├── BH9_02_11R.in ├── BH9_02_11TS.in ├── BH9_02_120P.in ├── BH9_02_120R.in ├── BH9_02_120TS.in ├── BH9_02_121P.in ├── BH9_02_121TS.in ├── BH9_02_122P.in ├── BH9_02_122R.in ├── BH9_02_122TS.in ├── BH9_02_123P.in ├── BH9_02_123TS.in ├── BH9_02_124P.in ├── BH9_02_124R.in ├── BH9_02_124TS.in ├── BH9_02_125P.in ├── BH9_02_125TS.in ├── BH9_02_126P.in ├── BH9_02_126R.in ├── BH9_02_126TS.in ├── BH9_02_127P.in ├── BH9_02_127R.in ├── BH9_02_127TS.in ├── BH9_02_128P.in ├── BH9_02_128R.in ├── BH9_02_128TS.in ├── BH9_02_129P.in ├── BH9_02_129R.in ├── BH9_02_129TS.in ├── BH9_02_12P.in ├── BH9_02_12R.in ├── BH9_02_12TS.in ├── BH9_02_130P.in ├── BH9_02_130R.in ├── BH9_02_130TS.in ├── BH9_02_131P.in ├── BH9_02_131R.in ├── BH9_02_131TS.in ├── BH9_02_132P.in ├── BH9_02_132R.in ├── BH9_02_132TS.in ├── BH9_02_133P.in ├── BH9_02_133R.in ├── BH9_02_133TS.in ├── BH9_02_134P.in ├── BH9_02_134R.in ├── BH9_02_134TS.in ├── BH9_02_135P.in ├── BH9_02_135R.in ├── BH9_02_135TS.in ├── BH9_02_136P.in ├── BH9_02_136R.in ├── BH9_02_136TS.in ├── BH9_02_137P.in ├── BH9_02_137R.in ├── BH9_02_137TS.in ├── BH9_02_138P.in ├── BH9_02_138R.in ├── BH9_02_138TS.in ├── BH9_02_139P.in ├── BH9_02_139R.in ├── BH9_02_139TS.in ├── BH9_02_13P.in ├── BH9_02_13R.in ├── BH9_02_13TS.in ├── BH9_02_140P.in ├── BH9_02_140R.in ├── BH9_02_140TS.in ├── BH9_02_14P.in ├── BH9_02_14R.in ├── BH9_02_14TS.in ├── BH9_02_15P.in ├── BH9_02_15R.in ├── BH9_02_15TS.in ├── BH9_02_16P.in ├── BH9_02_16R.in ├── BH9_02_16TS.in ├── BH9_02_17P.in ├── BH9_02_17R.in ├── BH9_02_17TS.in ├── BH9_02_18P.in ├── BH9_02_18R.in ├── BH9_02_18TS.in ├── BH9_02_19P.in ├── BH9_02_19R.in ├── BH9_02_19TS.in ├── BH9_02_1P.in ├── BH9_02_1R1.in ├── BH9_02_1R2.in ├── BH9_02_1TS.in ├── BH9_02_20P.in ├── BH9_02_20R.in ├── BH9_02_20TS.in ├── BH9_02_21P.in ├── BH9_02_21R.in ├── BH9_02_21TS.in ├── BH9_02_22P.in ├── BH9_02_22R.in ├── BH9_02_22TS.in ├── BH9_02_23P.in ├── BH9_02_23R.in ├── BH9_02_23TS.in ├── BH9_02_24P.in ├── BH9_02_24R.in ├── BH9_02_24TS.in ├── BH9_02_25P.in ├── BH9_02_25R.in ├── BH9_02_25TS.in ├── BH9_02_26P.in ├── BH9_02_26R.in ├── BH9_02_26TS.in ├── BH9_02_27P.in ├── BH9_02_27R.in ├── BH9_02_27TS.in ├── BH9_02_28P.in ├── BH9_02_28R.in ├── BH9_02_28TS.in ├── BH9_02_29P.in ├── BH9_02_29R1.in ├── BH9_02_29R2.in ├── BH9_02_29TS.in ├── BH9_02_2P.in ├── BH9_02_2R1.in ├── BH9_02_2R2.in ├── BH9_02_2TS.in ├── BH9_02_30P.in ├── BH9_02_30R1.in ├── BH9_02_30R2.in ├── BH9_02_30TS.in ├── BH9_02_31P.in ├── BH9_02_31R1.in ├── BH9_02_31R2.in ├── BH9_02_31TS.in ├── BH9_02_32P.in ├── BH9_02_32R1.in ├── BH9_02_32R2.in ├── BH9_02_32TS.in ├── BH9_02_33P.in ├── BH9_02_33R.in ├── BH9_02_33TS.in ├── BH9_02_34P.in ├── BH9_02_34R.in ├── BH9_02_34TS.in ├── BH9_02_35P.in ├── BH9_02_35R.in ├── BH9_02_35TS.in ├── BH9_02_36P.in ├── BH9_02_36R.in ├── BH9_02_36TS.in ├── BH9_02_37P.in ├── BH9_02_37R.in ├── BH9_02_37TS.in ├── BH9_02_38P.in ├── BH9_02_38R.in ├── BH9_02_38TS.in ├── BH9_02_39P.in ├── BH9_02_39R.in ├── BH9_02_39TS.in ├── BH9_02_3P.in ├── BH9_02_3R1.in ├── BH9_02_3R2.in ├── BH9_02_3TS.in ├── BH9_02_40P.in ├── BH9_02_40R1.in ├── BH9_02_40R2.in ├── BH9_02_40TS.in ├── BH9_02_41P.in ├── BH9_02_41R1.in ├── BH9_02_41R2.in ├── BH9_02_41TS.in ├── BH9_02_42P.in ├── BH9_02_42R1.in ├── BH9_02_42R2.in ├── BH9_02_42TS.in ├── BH9_02_43P.in ├── BH9_02_43R1.in ├── BH9_02_43R2.in ├── BH9_02_43TS.in ├── BH9_02_44P.in ├── BH9_02_44R1.in ├── BH9_02_44R2.in ├── BH9_02_44TS.in ├── BH9_02_45P.in ├── BH9_02_45R1.in ├── BH9_02_45R2.in ├── BH9_02_45TS.in ├── BH9_02_46P.in ├── BH9_02_46R.in ├── BH9_02_46TS.in ├── BH9_02_47P.in ├── BH9_02_47R1.in ├── BH9_02_47R2.in ├── BH9_02_47TS.in ├── BH9_02_48P.in ├── BH9_02_48R1.in ├── BH9_02_48R2.in ├── BH9_02_48TS.in ├── BH9_02_49P.in ├── BH9_02_49R1.in ├── BH9_02_49R2.in ├── BH9_02_49TS.in ├── BH9_02_4P.in ├── BH9_02_4R1.in ├── BH9_02_4R2.in ├── BH9_02_4TS.in ├── BH9_02_50P.in ├── BH9_02_50R.in ├── BH9_02_50TS.in ├── BH9_02_51P1.in ├── BH9_02_51P2.in ├── BH9_02_51P3.in ├── BH9_02_51R1.in ├── BH9_02_51R2.in ├── BH9_02_51R3.in ├── BH9_02_51TS.in ├── BH9_02_52P.in ├── BH9_02_52R1.in ├── BH9_02_52R2.in ├── BH9_02_52TS.in ├── BH9_02_53P.in ├── BH9_02_53R1.in ├── BH9_02_53R2.in ├── BH9_02_53TS.in ├── BH9_02_54P.in ├── BH9_02_54R1.in ├── BH9_02_54R2.in ├── BH9_02_54TS.in ├── BH9_02_55P.in ├── BH9_02_55R1.in ├── BH9_02_55R2.in ├── BH9_02_55TS.in ├── BH9_02_56P.in ├── BH9_02_56R1.in ├── BH9_02_56R2.in ├── BH9_02_56TS.in ├── BH9_02_57P.in ├── BH9_02_57R1.in ├── BH9_02_57R2.in ├── BH9_02_57TS.in ├── BH9_02_58P.in ├── BH9_02_58R1.in ├── BH9_02_58R2.in ├── BH9_02_58TS.in ├── BH9_02_59P.in ├── BH9_02_59R1.in ├── BH9_02_59R2.in ├── BH9_02_59TS.in ├── BH9_02_5P.in ├── BH9_02_5R.in ├── BH9_02_5TS.in ├── BH9_02_60P.in ├── BH9_02_60R1.in ├── BH9_02_60R2.in ├── BH9_02_60TS.in ├── BH9_02_61P.in ├── BH9_02_61R1.in ├── BH9_02_61R2.in ├── BH9_02_61TS.in ├── BH9_02_62P.in ├── BH9_02_62R1.in ├── BH9_02_62R2.in ├── BH9_02_62TS.in ├── BH9_02_63P.in ├── BH9_02_63R.in ├── BH9_02_63TS.in ├── BH9_02_64P.in ├── BH9_02_64R.in ├── BH9_02_64TS.in ├── BH9_02_65P.in ├── BH9_02_65R.in ├── BH9_02_65TS.in ├── BH9_02_66P.in ├── BH9_02_66R.in ├── BH9_02_66TS.in ├── BH9_02_67P.in ├── BH9_02_67R1.in ├── BH9_02_67R2.in ├── BH9_02_67TS.in ├── BH9_02_68P.in ├── BH9_02_68R1.in ├── BH9_02_68R2.in ├── BH9_02_68TS.in ├── BH9_02_69P.in ├── BH9_02_69R1.in ├── BH9_02_69R2.in ├── BH9_02_69TS.in ├── BH9_02_6P.in ├── BH9_02_6R.in ├── BH9_02_6TS.in ├── BH9_02_70P.in ├── BH9_02_70R.in ├── BH9_02_70TS.in ├── BH9_02_71P.in ├── BH9_02_71R.in ├── BH9_02_71TS.in ├── BH9_02_72P.in ├── BH9_02_72R.in ├── BH9_02_72TS.in ├── BH9_02_73P.in ├── BH9_02_73R1.in ├── BH9_02_73R2.in ├── BH9_02_73TS.in ├── BH9_02_74P.in ├── BH9_02_74R.in ├── BH9_02_74TS.in ├── BH9_02_75P.in ├── BH9_02_75R1.in ├── BH9_02_75R2.in ├── BH9_02_75TS.in ├── BH9_02_76P.in ├── BH9_02_76R.in ├── BH9_02_76TS.in ├── BH9_02_77P.in ├── BH9_02_77R1.in ├── BH9_02_77R2.in ├── BH9_02_77TS.in ├── BH9_02_78P.in ├── BH9_02_78R.in ├── BH9_02_78TS.in ├── BH9_02_79P.in ├── BH9_02_79R1.in ├── BH9_02_79R2.in ├── BH9_02_79TS.in ├── BH9_02_7P.in ├── BH9_02_7R.in ├── BH9_02_7TS.in ├── BH9_02_80P.in ├── BH9_02_80R.in ├── BH9_02_80TS.in ├── BH9_02_81P.in ├── BH9_02_81R1.in ├── BH9_02_81R2.in ├── BH9_02_81TS.in ├── BH9_02_82P.in ├── BH9_02_82R1.in ├── BH9_02_82R2.in ├── BH9_02_82TS.in ├── BH9_02_83P.in ├── BH9_02_83R.in ├── BH9_02_83TS.in ├── BH9_02_84P.in ├── BH9_02_84R.in ├── BH9_02_84TS.in ├── BH9_02_85P.in ├── BH9_02_85R.in ├── BH9_02_85TS.in ├── BH9_02_86P.in ├── BH9_02_86R.in ├── BH9_02_86TS.in ├── BH9_02_87P.in ├── BH9_02_87R.in ├── BH9_02_87TS.in ├── BH9_02_88P.in ├── BH9_02_88R.in ├── BH9_02_88TS.in ├── BH9_02_89P.in ├── BH9_02_89R.in ├── BH9_02_89TS.in ├── BH9_02_8P.in ├── BH9_02_8R.in ├── BH9_02_8TS.in ├── BH9_02_90P.in ├── BH9_02_90R.in ├── BH9_02_90TS.in ├── BH9_02_91P.in ├── BH9_02_91R.in ├── BH9_02_91TS.in ├── BH9_02_92P.in ├── BH9_02_92R.in ├── BH9_02_92TS.in ├── BH9_02_93P.in ├── BH9_02_93R.in ├── BH9_02_93TS.in ├── BH9_02_94P.in ├── BH9_02_94R.in ├── BH9_02_94TS.in ├── BH9_02_95P.in ├── BH9_02_95R.in ├── BH9_02_95TS.in ├── BH9_02_96P.in ├── BH9_02_96R.in ├── BH9_02_96TS.in ├── BH9_02_97P.in ├── BH9_02_97R.in ├── BH9_02_97TS.in ├── BH9_02_98P.in ├── BH9_02_98R.in ├── BH9_02_98TS.in ├── BH9_02_99P.in ├── BH9_02_99R.in ├── BH9_02_99TS.in ├── BH9_02_9P.in ├── BH9_02_9R.in ├── BH9_02_9TS.in ├── BH9_03_10P1.in ├── BH9_03_10P2.in ├── BH9_03_10R1.in ├── BH9_03_10R2.in ├── BH9_03_10TS.in ├── BH9_03_11P1.in ├── BH9_03_11P2.in ├── BH9_03_11R1.in ├── BH9_03_11R2.in ├── BH9_03_11TS.in ├── BH9_03_12P1.in ├── BH9_03_12P2.in ├── BH9_03_12R1.in ├── BH9_03_12R2.in ├── BH9_03_12TS.in ├── BH9_03_13P1.in ├── BH9_03_13P2.in ├── BH9_03_13R1.in ├── BH9_03_13R2.in ├── BH9_03_13TS.in ├── BH9_03_14P1.in ├── BH9_03_14P2.in ├── BH9_03_14R1.in ├── BH9_03_14R2.in ├── BH9_03_14TS.in ├── BH9_03_15P1.in ├── BH9_03_15P2.in ├── BH9_03_15R1.in ├── BH9_03_15R2.in ├── BH9_03_15TS.in ├── BH9_03_16P1.in ├── BH9_03_16P2.in ├── BH9_03_16R1.in ├── BH9_03_16R2.in ├── BH9_03_16TS.in ├── BH9_03_17P1.in ├── BH9_03_17P2.in ├── BH9_03_17R1.in ├── BH9_03_17R2.in ├── BH9_03_17TS.in ├── BH9_03_18P1.in ├── BH9_03_18P2.in ├── BH9_03_18R1.in ├── BH9_03_18R2.in ├── BH9_03_18TS.in ├── BH9_03_19P1.in ├── BH9_03_19P2.in ├── BH9_03_19R1.in ├── BH9_03_19R2.in ├── BH9_03_19TS.in ├── BH9_03_1P1.in ├── BH9_03_1P2.in ├── BH9_03_1R1.in ├── BH9_03_1R2.in ├── BH9_03_1TS.in ├── BH9_03_20P1.in ├── BH9_03_20P2.in ├── BH9_03_20R1.in ├── BH9_03_20R2.in ├── BH9_03_20TS.in ├── BH9_03_21P1.in ├── BH9_03_21P2.in ├── BH9_03_21R1.in ├── BH9_03_21R2.in ├── BH9_03_21TS.in ├── BH9_03_22P1.in ├── BH9_03_22P2.in ├── BH9_03_22R1.in ├── BH9_03_22R2.in ├── BH9_03_22TS.in ├── BH9_03_23P1.in ├── BH9_03_23P2.in ├── BH9_03_23R1.in ├── BH9_03_23R2.in ├── BH9_03_23TS.in ├── BH9_03_24P1.in ├── BH9_03_24P2.in ├── BH9_03_24R1.in ├── BH9_03_24R2.in ├── BH9_03_24TS.in ├── BH9_03_25P.in ├── BH9_03_25R.in ├── BH9_03_25TS.in ├── BH9_03_26P1.in ├── BH9_03_26P2.in ├── BH9_03_26R1.in ├── BH9_03_26R2.in ├── BH9_03_26TS.in ├── BH9_03_27P1.in ├── BH9_03_27P2.in ├── BH9_03_27R1.in ├── BH9_03_27R2.in ├── BH9_03_27TS.in ├── BH9_03_28P1.in ├── BH9_03_28P2.in ├── BH9_03_28R1.in ├── BH9_03_28R2.in ├── BH9_03_28TS.in ├── BH9_03_29P1.in ├── BH9_03_29P2.in ├── BH9_03_29R1.in ├── BH9_03_29R2.in ├── BH9_03_29TS.in ├── BH9_03_2P1.in ├── BH9_03_2P2.in ├── BH9_03_2R1.in ├── BH9_03_2R2.in ├── BH9_03_2TS.in ├── BH9_03_30P1.in ├── BH9_03_30P2.in ├── BH9_03_30R1.in ├── BH9_03_30R2.in ├── BH9_03_30TS.in ├── BH9_03_31P1.in ├── BH9_03_31P2.in ├── BH9_03_31R1.in ├── BH9_03_31R2.in ├── BH9_03_31TS.in ├── BH9_03_32P1.in ├── BH9_03_32P2.in ├── BH9_03_32R1.in ├── BH9_03_32R2.in ├── BH9_03_32TS.in ├── BH9_03_33P1.in ├── BH9_03_33P2.in ├── BH9_03_33R1.in ├── BH9_03_33R2.in ├── BH9_03_33TS.in ├── BH9_03_34P1.in ├── BH9_03_34P2.in ├── BH9_03_34R1.in ├── BH9_03_34R2.in ├── BH9_03_34TS.in ├── BH9_03_35P1.in ├── BH9_03_35P2.in ├── BH9_03_35R1.in ├── BH9_03_35R2.in ├── BH9_03_35TS.in ├── BH9_03_36P1.in ├── BH9_03_36P2.in ├── BH9_03_36R1.in ├── BH9_03_36R2.in ├── BH9_03_36TS.in ├── BH9_03_37P1.in ├── BH9_03_37P2.in ├── BH9_03_37R1.in ├── BH9_03_37R2.in ├── BH9_03_37TS.in ├── BH9_03_38P1.in ├── BH9_03_38P2.in ├── BH9_03_38R1.in ├── BH9_03_38R2.in ├── BH9_03_38TS.in ├── BH9_03_39P1.in ├── BH9_03_39P2.in ├── BH9_03_39R1.in ├── BH9_03_39R2.in ├── BH9_03_39TS.in ├── BH9_03_3P1.in ├── BH9_03_3P2.in ├── BH9_03_3R1.in ├── BH9_03_3R2.in ├── BH9_03_3TS.in ├── BH9_03_40P1.in ├── BH9_03_40P2.in ├── BH9_03_40R1.in ├── BH9_03_40R2.in ├── BH9_03_40TS.in ├── BH9_03_41P1.in ├── BH9_03_41P2.in ├── BH9_03_41R1.in ├── BH9_03_41R2.in ├── BH9_03_41TS.in ├── BH9_03_42P1.in ├── BH9_03_42P2.in ├── BH9_03_42R1.in ├── BH9_03_42R2.in ├── BH9_03_42TS.in ├── BH9_03_43P1.in ├── BH9_03_43P2.in ├── BH9_03_43R1.in ├── BH9_03_43R2.in ├── BH9_03_43TS.in ├── BH9_03_4P1.in ├── BH9_03_4P2.in ├── BH9_03_4R1.in ├── BH9_03_4R2.in ├── BH9_03_4TS.in ├── BH9_03_5P1.in ├── BH9_03_5P2.in ├── BH9_03_5R1.in ├── BH9_03_5R2.in ├── BH9_03_5TS.in ├── BH9_03_6P1.in ├── BH9_03_6P2.in ├── BH9_03_6R1.in ├── BH9_03_6R2.in ├── BH9_03_6TS.in ├── BH9_03_7P1.in ├── BH9_03_7P2.in ├── BH9_03_7R1.in ├── BH9_03_7R2.in ├── BH9_03_7TS.in ├── BH9_03_8P1.in ├── BH9_03_8P2.in ├── BH9_03_8R1.in ├── BH9_03_8R2.in ├── BH9_03_8TS.in ├── BH9_03_9P1.in ├── BH9_03_9P2.in ├── BH9_03_9R1.in ├── BH9_03_9R2.in ├── BH9_03_9TS.in ├── BH9_04_10P1.in ├── BH9_04_10P2.in ├── BH9_04_10R1.in ├── BH9_04_10R2.in ├── BH9_04_10TS.in ├── BH9_04_11P1.in ├── BH9_04_11P2.in ├── BH9_04_11R1.in ├── BH9_04_11R2.in ├── BH9_04_11TS.in ├── BH9_04_12P1.in ├── BH9_04_12P2.in ├── BH9_04_12R1.in ├── BH9_04_12R2.in ├── BH9_04_12TS.in ├── BH9_04_13P1.in ├── BH9_04_13P2.in ├── BH9_04_13R1.in ├── BH9_04_13R2.in ├── BH9_04_13TS.in ├── BH9_04_14P1.in ├── BH9_04_14P2.in ├── BH9_04_14R1.in ├── BH9_04_14R2.in ├── BH9_04_14TS.in ├── BH9_04_15P1.in ├── BH9_04_15P2.in ├── BH9_04_15R1.in ├── BH9_04_15R2.in ├── BH9_04_15TS.in ├── BH9_04_16P1.in ├── BH9_04_16P2.in ├── BH9_04_16R1.in ├── BH9_04_16R2.in ├── BH9_04_16TS.in ├── BH9_04_17P1.in ├── BH9_04_17P2.in ├── BH9_04_17R1.in ├── BH9_04_17R2.in ├── BH9_04_17TS.in ├── BH9_04_18P.in ├── BH9_04_18R.in ├── BH9_04_18TS.in ├── BH9_04_19P.in ├── BH9_04_19R.in ├── BH9_04_19TS.in ├── BH9_04_1P.in ├── BH9_04_1R.in ├── BH9_04_1TS.in ├── BH9_04_20P.in ├── BH9_04_20R.in ├── BH9_04_20TS.in ├── BH9_04_21P.in ├── BH9_04_21R.in ├── BH9_04_21TS.in ├── BH9_04_22P1.in ├── BH9_04_22P2.in ├── BH9_04_22R1.in ├── BH9_04_22R2.in ├── BH9_04_22TS.in ├── BH9_04_23P1.in ├── BH9_04_23P2.in ├── BH9_04_23R1.in ├── BH9_04_23R2.in ├── BH9_04_23TS.in ├── BH9_04_24P1.in ├── BH9_04_24P2.in ├── BH9_04_24R1.in ├── BH9_04_24R2.in ├── BH9_04_24TS.in ├── BH9_04_25P1.in ├── BH9_04_25P2.in ├── BH9_04_25R1.in ├── BH9_04_25R2.in ├── BH9_04_25TS.in ├── BH9_04_26P1.in ├── BH9_04_26P2.in ├── BH9_04_26R1.in ├── BH9_04_26R2.in ├── BH9_04_26TS.in ├── BH9_04_27P1.in ├── BH9_04_27P2.in ├── BH9_04_27R1.in ├── BH9_04_27R2.in ├── BH9_04_27TS.in ├── BH9_04_28P.in ├── BH9_04_28R.in ├── BH9_04_28TS.in ├── BH9_04_29P1.in ├── BH9_04_29P2.in ├── BH9_04_29R1.in ├── BH9_04_29R2.in ├── BH9_04_29TS.in ├── BH9_04_2P1.in ├── BH9_04_2P2.in ├── BH9_04_2R1.in ├── BH9_04_2R2.in ├── BH9_04_2TS.in ├── BH9_04_30P1.in ├── BH9_04_30P2.in ├── BH9_04_30R1.in ├── BH9_04_30R2.in ├── BH9_04_30TS.in ├── BH9_04_31P.in ├── BH9_04_31R.in ├── BH9_04_31TS.in ├── BH9_04_32P1.in ├── BH9_04_32P2.in ├── BH9_04_32R1.in ├── BH9_04_32R2.in ├── BH9_04_32TS.in ├── BH9_04_33P1.in ├── BH9_04_33P2.in ├── BH9_04_33R1.in ├── BH9_04_33R2.in ├── BH9_04_33TS.in ├── BH9_04_34P1.in ├── BH9_04_34P2.in ├── BH9_04_34R1.in ├── BH9_04_34R2.in ├── BH9_04_34TS.in ├── BH9_04_35P1.in ├── BH9_04_35P2.in ├── BH9_04_35R1.in ├── BH9_04_35R2.in ├── BH9_04_35TS.in ├── BH9_04_36P.in ├── BH9_04_36R.in ├── BH9_04_36TS.in ├── BH9_04_37P.in ├── BH9_04_37R.in ├── BH9_04_37TS.in ├── BH9_04_38P1.in ├── BH9_04_38P2.in ├── BH9_04_38R1.in ├── BH9_04_38R2.in ├── BH9_04_38TS.in ├── BH9_04_39P1.in ├── BH9_04_39P2.in ├── BH9_04_39R1.in ├── BH9_04_39R2.in ├── BH9_04_39TS.in ├── BH9_04_3P1.in ├── BH9_04_3P2.in ├── BH9_04_3R1.in ├── BH9_04_3R2.in ├── BH9_04_3TS.in ├── BH9_04_40P1.in ├── BH9_04_40P2.in ├── BH9_04_40R1.in ├── BH9_04_40R2.in ├── BH9_04_40TS.in ├── BH9_04_41P.in ├── BH9_04_41R.in ├── BH9_04_41TS.in ├── BH9_04_42P.in ├── BH9_04_42R.in ├── BH9_04_42TS.in ├── BH9_04_43P.in ├── BH9_04_43R.in ├── BH9_04_43TS.in ├── BH9_04_44P1.in ├── BH9_04_44P2.in ├── BH9_04_44R1.in ├── BH9_04_44R2.in ├── BH9_04_44TS.in ├── BH9_04_45P1.in ├── BH9_04_45P2.in ├── BH9_04_45R1.in ├── BH9_04_45R2.in ├── BH9_04_45TS.in ├── BH9_04_46P1.in ├── BH9_04_46P2.in ├── BH9_04_46R1.in ├── BH9_04_46R2.in ├── BH9_04_46TS.in ├── BH9_04_47P1.in ├── BH9_04_47P2.in ├── BH9_04_47R1.in ├── BH9_04_47R2.in ├── BH9_04_47TS.in ├── BH9_04_48P1.in ├── BH9_04_48P2.in ├── BH9_04_48R1.in ├── BH9_04_48R2.in ├── BH9_04_48TS.in ├── BH9_04_49P1.in ├── BH9_04_49P2.in ├── BH9_04_49R1.in ├── BH9_04_49R2.in ├── BH9_04_49TS.in ├── BH9_04_4P.in ├── BH9_04_4R.in ├── BH9_04_4TS.in ├── BH9_04_50P1.in ├── BH9_04_50P2.in ├── BH9_04_50R1.in ├── BH9_04_50R2.in ├── BH9_04_50TS.in ├── BH9_04_51P1.in ├── BH9_04_51P2.in ├── BH9_04_51R1.in ├── BH9_04_51R2.in ├── BH9_04_51TS.in ├── BH9_04_52P1.in ├── BH9_04_52P2.in ├── BH9_04_52R1.in ├── BH9_04_52R2.in ├── BH9_04_52TS.in ├── BH9_04_53P1.in ├── BH9_04_53P2.in ├── BH9_04_53R1.in ├── BH9_04_53R2.in ├── BH9_04_53TS.in ├── BH9_04_54P1.in ├── BH9_04_54P2.in ├── BH9_04_54R1.in ├── BH9_04_54R2.in ├── BH9_04_54TS.in ├── BH9_04_55P1.in ├── BH9_04_55P2.in ├── BH9_04_55R1.in ├── BH9_04_55R2.in ├── BH9_04_55TS.in ├── BH9_04_56P.in ├── BH9_04_56R.in ├── BH9_04_56TS.in ├── BH9_04_57P1.in ├── BH9_04_57P2.in ├── BH9_04_57R1.in ├── BH9_04_57R2.in ├── BH9_04_57TS.in ├── BH9_04_58P1.in ├── BH9_04_58P2.in ├── BH9_04_58R1.in ├── BH9_04_58R2.in ├── BH9_04_58TS.in ├── BH9_04_59P1.in ├── BH9_04_59P2.in ├── BH9_04_59R1.in ├── BH9_04_59R2.in ├── BH9_04_59TS.in ├── BH9_04_5P1.in ├── BH9_04_5P2.in ├── BH9_04_5R1.in ├── BH9_04_5R2.in ├── BH9_04_5TS.in ├── BH9_04_60P1.in ├── BH9_04_60P2.in ├── BH9_04_60R1.in ├── BH9_04_60R2.in ├── BH9_04_60TS.in ├── BH9_04_61P.in ├── BH9_04_61R.in ├── BH9_04_61TS.in ├── BH9_04_62P1.in ├── BH9_04_62P2.in ├── BH9_04_62R1.in ├── BH9_04_62R2.in ├── BH9_04_62TS.in ├── BH9_04_63P1.in ├── BH9_04_63P2.in ├── BH9_04_63R1.in ├── BH9_04_63R2.in ├── BH9_04_63TS.in ├── BH9_04_64P.in ├── BH9_04_64R.in ├── BH9_04_64TS.in ├── BH9_04_65P1.in ├── BH9_04_65P2.in ├── BH9_04_65R1.in ├── BH9_04_65R2.in ├── BH9_04_65TS.in ├── BH9_04_66P1.in ├── BH9_04_66P2.in ├── BH9_04_66R1.in ├── BH9_04_66R2.in ├── BH9_04_66TS.in ├── BH9_04_67P1.in ├── BH9_04_67P2.in ├── BH9_04_67R1.in ├── BH9_04_67R2.in ├── BH9_04_67TS.in ├── BH9_04_68P1.in ├── BH9_04_68P2.in ├── BH9_04_68R1.in ├── BH9_04_68R2.in ├── BH9_04_68TS.in ├── BH9_04_69P.in ├── BH9_04_69R.in ├── BH9_04_69TS.in ├── BH9_04_6P1.in ├── BH9_04_6P2.in ├── BH9_04_6R1.in ├── BH9_04_6R2.in ├── BH9_04_6TS.in ├── BH9_04_70P1.in ├── BH9_04_70P2.in ├── BH9_04_70R1.in ├── BH9_04_70R2.in ├── BH9_04_70TS.in ├── BH9_04_71P1.in ├── BH9_04_71P2.in ├── BH9_04_71R1.in ├── BH9_04_71R2.in ├── BH9_04_71TS.in ├── BH9_04_72P.in ├── BH9_04_72R.in ├── BH9_04_72TS.in ├── BH9_04_73P1.in ├── BH9_04_73P2.in ├── BH9_04_73R1.in ├── BH9_04_73R2.in ├── BH9_04_73TS.in ├── BH9_04_74P1.in ├── BH9_04_74P2.in ├── BH9_04_74R1.in ├── BH9_04_74R2.in ├── BH9_04_74TS.in ├── BH9_04_75P1.in ├── BH9_04_75P2.in ├── BH9_04_75R1.in ├── BH9_04_75R2.in ├── BH9_04_75TS.in ├── BH9_04_76P.in ├── BH9_04_76R.in ├── BH9_04_76TS.in ├── BH9_04_77P1.in ├── BH9_04_77P2.in ├── BH9_04_77R1.in ├── BH9_04_77R2.in ├── BH9_04_77TS.in ├── BH9_04_78P.in ├── BH9_04_78R.in ├── BH9_04_78TS.in ├── BH9_04_79P1.in ├── BH9_04_79P2.in ├── BH9_04_79R1.in ├── BH9_04_79R2.in ├── BH9_04_79TS.in ├── BH9_04_7P1.in ├── BH9_04_7P2.in ├── BH9_04_7R1.in ├── BH9_04_7R2.in ├── BH9_04_7TS.in ├── BH9_04_80P1.in ├── BH9_04_80P2.in ├── BH9_04_80R1.in ├── BH9_04_80R2.in ├── BH9_04_80TS.in ├── BH9_04_81P1.in ├── BH9_04_81P2.in ├── BH9_04_81R1.in ├── BH9_04_81R2.in ├── BH9_04_81TS.in ├── BH9_04_82P1.in ├── BH9_04_82P2.in ├── BH9_04_82R1.in ├── BH9_04_82R2.in ├── BH9_04_82TS.in ├── BH9_04_83P1.in ├── BH9_04_83P2.in ├── BH9_04_83R1.in ├── BH9_04_83R2.in ├── BH9_04_83TS.in ├── BH9_04_84P.in ├── BH9_04_84R.in ├── BH9_04_84TS.in ├── BH9_04_85P1.in ├── BH9_04_85P2.in ├── BH9_04_85R1.in ├── BH9_04_85R2.in ├── BH9_04_85TS.in ├── BH9_04_86P1.in ├── BH9_04_86P2.in ├── BH9_04_86R1.in ├── BH9_04_86R2.in ├── BH9_04_86TS.in ├── BH9_04_87P1.in ├── BH9_04_87P2.in ├── BH9_04_87R1.in ├── BH9_04_87R2.in ├── BH9_04_87TS.in ├── BH9_04_88P.in ├── BH9_04_88R.in ├── BH9_04_88TS.in ├── BH9_04_89P1.in ├── BH9_04_89P2.in ├── BH9_04_89R1.in ├── BH9_04_89R2.in ├── BH9_04_89TS.in ├── BH9_04_8P.in ├── BH9_04_8R.in ├── BH9_04_8TS.in ├── BH9_04_90P1.in ├── BH9_04_90P2.in ├── BH9_04_90R1.in ├── BH9_04_90R2.in ├── BH9_04_90TS.in ├── BH9_04_9P1.in ├── BH9_04_9P2.in ├── BH9_04_9R1.in ├── BH9_04_9R2.in ├── BH9_04_9TS.in ├── BH9_05_10P1.in ├── BH9_05_10P2.in ├── BH9_05_10R1.in ├── BH9_05_10R2.in ├── BH9_05_10TS.in ├── BH9_05_11P1.in ├── BH9_05_11P2.in ├── BH9_05_11R1.in ├── BH9_05_11R2.in ├── BH9_05_11TS.in ├── BH9_05_12P1.in ├── BH9_05_12P2.in ├── BH9_05_12R1.in ├── BH9_05_12R2.in ├── BH9_05_12TS.in ├── BH9_05_13P1.in ├── BH9_05_13P2.in ├── BH9_05_13R1.in ├── BH9_05_13R2.in ├── BH9_05_13TS.in ├── BH9_05_14P1.in ├── BH9_05_14P2.in ├── BH9_05_14R1.in ├── BH9_05_14R2.in ├── BH9_05_14TS.in ├── BH9_05_15P1.in ├── BH9_05_15P2.in ├── BH9_05_15R1.in ├── BH9_05_15R2.in ├── BH9_05_15TS.in ├── BH9_05_16P1.in ├── BH9_05_16P2.in ├── BH9_05_16R1.in ├── BH9_05_16R2.in ├── BH9_05_16TS.in ├── BH9_05_17P1.in ├── BH9_05_17P2.in ├── BH9_05_17R1.in ├── BH9_05_17R2.in ├── BH9_05_17TS.in ├── BH9_05_18P1.in ├── BH9_05_18P2.in ├── BH9_05_18R1.in ├── BH9_05_18R2.in ├── BH9_05_18TS.in ├── BH9_05_19P1.in ├── BH9_05_19P2.in ├── BH9_05_19R1.in ├── BH9_05_19R2.in ├── BH9_05_19TS.in ├── BH9_05_1P.in ├── BH9_05_1R.in ├── BH9_05_1TS.in ├── BH9_05_20P1.in ├── BH9_05_20P2.in ├── BH9_05_20R1.in ├── BH9_05_20R2.in ├── BH9_05_20TS.in ├── BH9_05_21P1.in ├── BH9_05_21P2.in ├── BH9_05_21R1.in ├── BH9_05_21R2.in ├── BH9_05_21TS.in ├── BH9_05_22P1.in ├── BH9_05_22P2.in ├── BH9_05_22R1.in ├── BH9_05_22R2.in ├── BH9_05_22TS.in ├── BH9_05_23P1.in ├── BH9_05_23P2.in ├── BH9_05_23R1.in ├── BH9_05_23R2.in ├── BH9_05_23TS.in ├── BH9_05_24P1.in ├── BH9_05_24P2.in ├── BH9_05_24R1.in ├── BH9_05_24R2.in ├── BH9_05_24TS.in ├── BH9_05_25P1.in ├── BH9_05_25P2.in ├── BH9_05_25R1.in ├── BH9_05_25R2.in ├── BH9_05_25TS.in ├── BH9_05_26P1.in ├── BH9_05_26P2.in ├── BH9_05_26R1.in ├── BH9_05_26R2.in ├── BH9_05_26TS.in ├── BH9_05_27P1.in ├── BH9_05_27P2.in ├── BH9_05_27R1.in ├── BH9_05_27R2.in ├── BH9_05_27TS.in ├── BH9_05_28P1.in ├── BH9_05_28P2.in ├── BH9_05_28R1.in ├── BH9_05_28R2.in ├── BH9_05_28TS.in ├── BH9_05_29P1.in ├── BH9_05_29P2.in ├── BH9_05_29R1.in ├── BH9_05_29R2.in ├── BH9_05_29TS.in ├── BH9_05_2P.in ├── BH9_05_2R.in ├── BH9_05_2TS.in ├── BH9_05_30P1.in ├── BH9_05_30P2.in ├── BH9_05_30R1.in ├── BH9_05_30R2.in ├── BH9_05_30TS.in ├── BH9_05_31P1.in ├── BH9_05_31P2.in ├── BH9_05_31R1.in ├── BH9_05_31R2.in ├── BH9_05_31TS.in ├── BH9_05_32P1.in ├── BH9_05_32P2.in ├── BH9_05_32R1.in ├── BH9_05_32R2.in ├── BH9_05_32TS.in ├── BH9_05_33P1.in ├── BH9_05_33P2.in ├── BH9_05_33R1.in ├── BH9_05_33R2.in ├── BH9_05_33TS.in ├── BH9_05_34P1.in ├── BH9_05_34P2.in ├── BH9_05_34R1.in ├── BH9_05_34R2.in ├── BH9_05_34TS.in ├── BH9_05_35P1.in ├── BH9_05_35P2.in ├── BH9_05_35R1.in ├── BH9_05_35R2.in ├── BH9_05_35TS.in ├── BH9_05_36P1.in ├── BH9_05_36P2.in ├── BH9_05_36R1.in ├── BH9_05_36R2.in ├── BH9_05_36TS.in ├── BH9_05_37P1.in ├── BH9_05_37P2.in ├── BH9_05_37R1.in ├── BH9_05_37R2.in ├── BH9_05_37TS.in ├── BH9_05_38P1.in ├── BH9_05_38P2.in ├── BH9_05_38R1.in ├── BH9_05_38R2.in ├── BH9_05_38TS.in ├── BH9_05_39P1.in ├── BH9_05_39P2.in ├── BH9_05_39R1.in ├── BH9_05_39R2.in ├── BH9_05_39TS.in ├── BH9_05_3P.in ├── BH9_05_3R.in ├── BH9_05_3TS.in ├── BH9_05_40P1.in ├── BH9_05_40P2.in ├── BH9_05_40R1.in ├── BH9_05_40R2.in ├── BH9_05_40TS.in ├── BH9_05_41P1.in ├── BH9_05_41P2.in ├── BH9_05_41R1.in ├── BH9_05_41R2.in ├── BH9_05_41TS.in ├── BH9_05_42P1.in ├── BH9_05_42P2.in ├── BH9_05_42R1.in ├── BH9_05_42R2.in ├── BH9_05_42TS.in ├── BH9_05_4P.in ├── BH9_05_4R.in ├── BH9_05_4TS.in ├── BH9_05_5P1.in ├── BH9_05_5P2.in ├── BH9_05_5R1.in ├── BH9_05_5R2.in ├── BH9_05_5TS.in ├── BH9_05_6P.in ├── BH9_05_6R.in ├── BH9_05_6TS.in ├── BH9_05_7P1.in ├── BH9_05_7P2.in ├── BH9_05_7R1.in ├── BH9_05_7R2.in ├── BH9_05_7TS.in ├── BH9_05_8P.in ├── BH9_05_8R.in ├── BH9_05_8TS.in ├── BH9_05_9P.in ├── BH9_05_9R.in ├── BH9_05_9TS.in ├── BH9_06_10P.in ├── BH9_06_10R1.in ├── BH9_06_10R2.in ├── BH9_06_10TS.in ├── BH9_06_11P.in ├── BH9_06_11R1.in ├── BH9_06_11R2.in ├── BH9_06_11TS.in ├── BH9_06_12P.in ├── BH9_06_12R.in ├── BH9_06_12TS.in ├── BH9_06_13P.in ├── BH9_06_13R.in ├── BH9_06_13TS.in ├── BH9_06_14P.in ├── BH9_06_14R.in ├── BH9_06_14TS.in ├── BH9_06_15P.in ├── BH9_06_15R1.in ├── BH9_06_15R2.in ├── BH9_06_15TS.in ├── BH9_06_16P.in ├── BH9_06_16R.in ├── BH9_06_16TS.in ├── BH9_06_17P.in ├── BH9_06_17R.in ├── BH9_06_17TS.in ├── BH9_06_18P1.in ├── BH9_06_18P2.in ├── BH9_06_18R1.in ├── BH9_06_18R2.in ├── BH9_06_18TS.in ├── BH9_06_19P.in ├── BH9_06_19R1.in ├── BH9_06_19R2.in ├── BH9_06_19TS.in ├── BH9_06_1P1.in ├── BH9_06_1P2.in ├── BH9_06_1R1.in ├── BH9_06_1R2.in ├── BH9_06_1TS.in ├── BH9_06_20P.in ├── BH9_06_20R1.in ├── BH9_06_20R2.in ├── BH9_06_20TS.in ├── BH9_06_21P1.in ├── BH9_06_21P2.in ├── BH9_06_21R1.in ├── BH9_06_21R2.in ├── BH9_06_21TS.in ├── BH9_06_22P.in ├── BH9_06_22R1.in ├── BH9_06_22R2.in ├── BH9_06_22TS.in ├── BH9_06_23P.in ├── BH9_06_23R1.in ├── BH9_06_23R2.in ├── BH9_06_23TS.in ├── BH9_06_24P.in ├── BH9_06_24R1.in ├── BH9_06_24R2.in ├── BH9_06_24TS.in ├── BH9_06_25P.in ├── BH9_06_25R1.in ├── BH9_06_25R2.in ├── BH9_06_25TS.in ├── BH9_06_26P.in ├── BH9_06_26R1.in ├── BH9_06_26R2.in ├── BH9_06_26TS.in ├── BH9_06_27P.in ├── BH9_06_27R.in ├── BH9_06_27TS.in ├── BH9_06_28P.in ├── BH9_06_28R.in ├── BH9_06_28TS.in ├── BH9_06_29P.in ├── BH9_06_29R.in ├── BH9_06_29TS.in ├── BH9_06_2P.in ├── BH9_06_2R1.in ├── BH9_06_2R2.in ├── BH9_06_2TS.in ├── BH9_06_30P.in ├── BH9_06_30R.in ├── BH9_06_30TS.in ├── BH9_06_31P.in ├── BH9_06_31R1.in ├── BH9_06_31R2.in ├── BH9_06_31TS.in ├── BH9_06_32P.in ├── BH9_06_32R1.in ├── BH9_06_32R2.in ├── BH9_06_32TS.in ├── BH9_06_33P1.in ├── BH9_06_33P2.in ├── BH9_06_33R1.in ├── BH9_06_33R2.in ├── BH9_06_33TS.in ├── BH9_06_34P.in ├── BH9_06_34R1.in ├── BH9_06_34R2.in ├── BH9_06_34TS.in ├── BH9_06_35P.in ├── BH9_06_35R1.in ├── BH9_06_35R2.in ├── BH9_06_35TS.in ├── BH9_06_3P.in ├── BH9_06_3R1.in ├── BH9_06_3R2.in ├── BH9_06_3TS.in ├── BH9_06_4P.in ├── BH9_06_4R1.in ├── BH9_06_4R2.in ├── BH9_06_4TS.in ├── BH9_06_5P.in ├── BH9_06_5R1.in ├── BH9_06_5R2.in ├── BH9_06_5TS.in ├── BH9_06_6P.in ├── BH9_06_6R1.in ├── BH9_06_6R2.in ├── BH9_06_6TS.in ├── BH9_06_7P1.in ├── BH9_06_7P2.in ├── BH9_06_7R1.in ├── BH9_06_7R2.in ├── BH9_06_7TS.in ├── BH9_06_8P.in ├── BH9_06_8R1.in ├── BH9_06_8R2.in ├── BH9_06_8TS.in ├── BH9_06_9P.in ├── BH9_06_9R1.in ├── BH9_06_9R2.in ├── BH9_06_9TS.in ├── BH9_07_10P1.in ├── BH9_07_10P2.in ├── BH9_07_10R1.in ├── BH9_07_10R2.in ├── BH9_07_10TS.in ├── BH9_07_1P.in ├── BH9_07_1R.in ├── BH9_07_1TS.in ├── BH9_07_2P.in ├── BH9_07_2R.in ├── BH9_07_2TS.in ├── BH9_07_3P.in ├── BH9_07_3R.in ├── BH9_07_3TS.in ├── BH9_07_4P1.in ├── BH9_07_4P2.in ├── BH9_07_4R1.in ├── BH9_07_4R2.in ├── BH9_07_4TS.in ├── BH9_07_5P.in ├── BH9_07_5R.in ├── BH9_07_5TS.in ├── BH9_07_6P.in ├── BH9_07_6R.in ├── BH9_07_6TS.in ├── BH9_07_7P.in ├── BH9_07_7R.in ├── BH9_07_7TS.in ├── BH9_07_8P1.in ├── BH9_07_8P2.in ├── BH9_07_8R1.in ├── BH9_07_8R2.in ├── BH9_07_8TS.in ├── BH9_07_9P1.in ├── BH9_07_9P2.in ├── BH9_07_9R1.in ├── BH9_07_9R2.in ├── BH9_07_9TS.in ├── BH9_08_10P1.in ├── BH9_08_10P2.in ├── BH9_08_10R1.in ├── BH9_08_10R2.in ├── BH9_08_10TS.in ├── BH9_08_11P1.in ├── BH9_08_11P2.in ├── BH9_08_11R1.in ├── BH9_08_11R2.in ├── BH9_08_11TS.in ├── BH9_08_12P1.in ├── BH9_08_12P2.in ├── BH9_08_12R1.in ├── BH9_08_12R2.in ├── BH9_08_12TS.in ├── BH9_08_13P1.in ├── BH9_08_13P2.in ├── BH9_08_13R1.in ├── BH9_08_13R2.in ├── BH9_08_13TS.in ├── BH9_08_14P1.in ├── BH9_08_14P2.in ├── BH9_08_14R1.in ├── BH9_08_14R2.in ├── BH9_08_14TS.in ├── BH9_08_15P1.in ├── BH9_08_15P2.in ├── BH9_08_15R1.in ├── BH9_08_15R2.in ├── BH9_08_15TS.in ├── BH9_08_1P1.in ├── BH9_08_1P2.in ├── BH9_08_1R1.in ├── BH9_08_1R2.in ├── BH9_08_1TS.in ├── BH9_08_2P1.in ├── BH9_08_2P2.in ├── BH9_08_2R1.in ├── BH9_08_2R2.in ├── BH9_08_2TS.in ├── BH9_08_3P1.in ├── BH9_08_3P2.in ├── BH9_08_3R1.in ├── BH9_08_3R2.in ├── BH9_08_3TS.in ├── BH9_08_4P.in ├── BH9_08_4R1.in ├── BH9_08_4R2.in ├── BH9_08_4TS.in ├── BH9_08_5P1.in ├── BH9_08_5P2.in ├── BH9_08_5R1.in ├── BH9_08_5R2.in ├── BH9_08_5TS.in ├── BH9_08_6P1.in ├── BH9_08_6P2.in ├── BH9_08_6R1.in ├── BH9_08_6R2.in ├── BH9_08_6TS.in ├── BH9_08_7P1.in ├── BH9_08_7P2.in ├── BH9_08_7R1.in ├── BH9_08_7R2.in ├── BH9_08_7TS.in ├── BH9_08_8P1.in ├── BH9_08_8P2.in ├── BH9_08_8R1.in ├── BH9_08_8R2.in ├── BH9_08_8TS.in ├── BH9_08_9P1.in ├── BH9_08_9P2.in ├── BH9_08_9R1.in ├── BH9_08_9R2.in ├── BH9_08_9TS.in ├── BH9_09_10P.in ├── BH9_09_10R.in ├── BH9_09_10TS.in ├── BH9_09_11P.in ├── BH9_09_11R1.in ├── BH9_09_11R2.in ├── BH9_09_11TS.in ├── BH9_09_12P.in ├── BH9_09_12R1.in ├── BH9_09_12R2.in ├── BH9_09_12TS.in ├── BH9_09_13P.in ├── BH9_09_13R1.in ├── BH9_09_13R2.in ├── BH9_09_13TS.in ├── BH9_09_14P.in ├── BH9_09_14R1.in ├── BH9_09_14R2.in ├── BH9_09_14TS.in ├── BH9_09_15P.in ├── BH9_09_15R1.in ├── BH9_09_15R2.in ├── BH9_09_15TS.in ├── BH9_09_16P.in ├── BH9_09_16R1.in ├── BH9_09_16R2.in ├── BH9_09_16TS.in ├── BH9_09_17P.in ├── BH9_09_17R1.in ├── BH9_09_17R2.in ├── BH9_09_17TS.in ├── BH9_09_18P.in ├── BH9_09_18R1.in ├── BH9_09_18R2.in ├── BH9_09_18TS.in ├── BH9_09_19P.in ├── BH9_09_19R.in ├── BH9_09_19TS.in ├── BH9_09_1P.in ├── BH9_09_1R1.in ├── BH9_09_1R2.in ├── BH9_09_1TS.in ├── BH9_09_20P.in ├── BH9_09_20R.in ├── BH9_09_20TS.in ├── BH9_09_21P.in ├── BH9_09_21R1.in ├── BH9_09_21R2.in ├── BH9_09_21TS.in ├── BH9_09_22P.in ├── BH9_09_22R.in ├── BH9_09_22TS.in ├── BH9_09_23P.in ├── BH9_09_23R.in ├── BH9_09_23TS.in ├── BH9_09_24P.in ├── BH9_09_24R.in ├── BH9_09_24TS.in ├── BH9_09_25P.in ├── BH9_09_25R.in ├── BH9_09_25TS.in ├── BH9_09_26P.in ├── BH9_09_26R1.in ├── BH9_09_26R2.in ├── BH9_09_26TS.in ├── BH9_09_2P.in ├── BH9_09_2R1.in ├── BH9_09_2R2.in ├── BH9_09_2TS.in ├── BH9_09_3P.in ├── BH9_09_3R1.in ├── BH9_09_3R2.in ├── BH9_09_3TS.in ├── BH9_09_4P.in ├── BH9_09_4R1.in ├── BH9_09_4R2.in ├── BH9_09_4TS.in ├── BH9_09_5P.in ├── BH9_09_5R1.in ├── BH9_09_5R2.in ├── BH9_09_5TS.in ├── BH9_09_6P.in ├── BH9_09_6R1.in ├── BH9_09_6R2.in ├── BH9_09_6TS.in ├── BH9_09_7P.in ├── BH9_09_7R1.in ├── BH9_09_7R2.in ├── BH9_09_7TS.in ├── BH9_09_8P.in ├── BH9_09_8R1.in ├── BH9_09_8R2.in ├── BH9_09_8TS.in ├── BH9_09_9P.in ├── BH9_09_9R1.in ├── BH9_09_9R2.in ├── BH9_09_9TS.in ├── BHDIV10_ed1.in ├── BHDIV10_ed10.in ├── BHDIV10_ed3.in ├── BHDIV10_ed4.in ├── BHDIV10_ed5.in ├── BHDIV10_ed6.in ├── BHDIV10_ed7.in ├── BHDIV10_ts1.in ├── BHDIV10_ts10.in ├── BHDIV10_ts3.in ├── BHDIV10_ts4.in ├── BHDIV10_ts5.in ├── BHDIV10_ts6.in ├── BHDIV10_ts7.in ├── BHPERI_00r.in ├── BHPERI_02r.in ├── BHPERI_02ts.in ├── BHPERI_03r.in ├── BHPERI_03ts.in ├── BHPERI_04r.in ├── BHPERI_04ts.in ├── BHPERI_05r.in ├── BHPERI_06ts.in ├── BHPERI_07r.in ├── BHPERI_07ts.in ├── BHPERI_08ts.in ├── BHPERI_09r.in ├── BHPERI_09ts.in ├── BHPERI_1-3-Cyclopentadiene.in ├── BHPERI_Cis-triscyclopropacyclohexane.in ├── BHPERI_Ethylene.in ├── BHPERI_TS11.in ├── BHPERI_TS3.in ├── BHPERI_TS8.in ├── BHPERI_TS9.in ├── BHPERI_ortho-xylylene.in ├── BHROT27_acetamide_RC.in ├── BHROT27_acetamide_TS1.in ├── BHROT27_acetamide_TS2.in ├── BHROT27_bifuran_TS.in ├── BHROT27_bifuran_anti.in ├── BHROT27_bifuran_syn.in ├── BHROT27_biphenyl.in ├── BHROT27_biphenyl_TS.in ├── BHROT27_bithiophene_TS.in ├── BHROT27_bithiophene_anti.in ├── BHROT27_bithiophene_syn.in ├── BHROT27_butadiene_TS.in ├── BHROT27_butadiene_scis.in ├── BHROT27_butadiene_strans.in ├── BHROT27_ethane_ecl.in ├── BHROT27_ethane_st.in ├── BHROT27_ethylthiourea_0.in ├── BHROT27_ethylthiourea_180.in ├── BHROT27_ethylthiourea_TS1.in ├── BHROT27_ethylthiourea_TS2.in ├── BHROT27_h2o2.in ├── BHROT27_h2o2_cis.in ├── BHROT27_h2o2_trans.in ├── BHROT27_h2s2.in ├── BHROT27_h2s2_cis.in ├── BHROT27_h2s2_trans.in ├── BHROT27_methanol_ecl.in ├── BHROT27_methanol_st.in ├── BHROT27_methylamine_ecl.in ├── BHROT27_methylamine_st.in ├── BHROT27_n2h4_ecl1.in ├── BHROT27_n2h4_ecl2.in ├── BHROT27_n2h4_st1.in ├── BHROT27_nh2oh_ecl.in ├── BHROT27_nh2oh_st1.in ├── BHROT27_nh2oh_st2.in ├── BHROT27_tmethane_0.in ├── BHROT27_tmethane_120.in ├── BHROT27_tmethane_180.in ├── BHROT27_tmethane_60.in ├── BSR36_c1.in ├── BSR36_c2.in ├── BSR36_c2h6.in ├── BSR36_c3.in ├── BSR36_c4.in ├── BSR36_c5.in ├── BSR36_ch4.in ├── BSR36_h1.in ├── BSR36_h10.in ├── BSR36_h11.in ├── BSR36_h12.in ├── BSR36_h13.in ├── BSR36_h14.in ├── BSR36_h15.in ├── BSR36_h2.in ├── BSR36_h3.in ├── BSR36_h4.in ├── BSR36_h5.in ├── BSR36_h6.in ├── BSR36_h7.in ├── BSR36_h8.in ├── BSR36_h9.in ├── BSR36_r1.in ├── BSR36_r10.in ├── BSR36_r11.in ├── BSR36_r12.in ├── BSR36_r13.in ├── BSR36_r14.in ├── BSR36_r15.in ├── BSR36_r16.in ├── BSR36_r2.in ├── BSR36_r3.in ├── BSR36_r4.in ├── BSR36_r5.in ├── BSR36_r6.in ├── BSR36_r7.in ├── BSR36_r8.in ├── BSR36_r9.in ├── BUT14DIOL_B1.in ├── BUT14DIOL_B10.in ├── BUT14DIOL_B11.in ├── BUT14DIOL_B12.in ├── BUT14DIOL_B13.in ├── BUT14DIOL_B14.in ├── BUT14DIOL_B15.in ├── BUT14DIOL_B16.in ├── BUT14DIOL_B17.in ├── BUT14DIOL_B18.in ├── BUT14DIOL_B19.in ├── BUT14DIOL_B2.in ├── BUT14DIOL_B20.in ├── BUT14DIOL_B21.in ├── BUT14DIOL_B22.in ├── BUT14DIOL_B23.in ├── BUT14DIOL_B24.in ├── BUT14DIOL_B25.in ├── BUT14DIOL_B26.in ├── BUT14DIOL_B27.in ├── BUT14DIOL_B28.in ├── BUT14DIOL_B29.in ├── BUT14DIOL_B3.in ├── BUT14DIOL_B30.in ├── BUT14DIOL_B31.in ├── BUT14DIOL_B32.in ├── BUT14DIOL_B33.in ├── BUT14DIOL_B34.in ├── BUT14DIOL_B35.in ├── BUT14DIOL_B36.in ├── BUT14DIOL_B37.in ├── BUT14DIOL_B38.in ├── BUT14DIOL_B39.in ├── BUT14DIOL_B4.in ├── BUT14DIOL_B40.in ├── BUT14DIOL_B41.in ├── BUT14DIOL_B42.in ├── BUT14DIOL_B43.in ├── BUT14DIOL_B44.in ├── BUT14DIOL_B45.in ├── BUT14DIOL_B46.in ├── BUT14DIOL_B47.in ├── BUT14DIOL_B48.in ├── BUT14DIOL_B49.in ├── BUT14DIOL_B5.in ├── BUT14DIOL_B50.in ├── BUT14DIOL_B51.in ├── BUT14DIOL_B52.in ├── BUT14DIOL_B53.in ├── BUT14DIOL_B54.in ├── BUT14DIOL_B55.in ├── BUT14DIOL_B56.in ├── BUT14DIOL_B57.in ├── BUT14DIOL_B58.in ├── BUT14DIOL_B59.in ├── BUT14DIOL_B6.in ├── BUT14DIOL_B60.in ├── BUT14DIOL_B61.in ├── BUT14DIOL_B62.in ├── BUT14DIOL_B63.in ├── BUT14DIOL_B64.in ├── BUT14DIOL_B65.in ├── BUT14DIOL_B7.in ├── BUT14DIOL_B8.in ├── BUT14DIOL_B9.in ├── C60ISO_1.in ├── C60ISO_10.in ├── C60ISO_2.in ├── C60ISO_3.in ├── C60ISO_4.in ├── C60ISO_5.in ├── C60ISO_6.in ├── C60ISO_7.in ├── C60ISO_8.in ├── C60ISO_9.in ├── CARBHB12_1CL.in ├── CARBHB12_1CL_A.in ├── CARBHB12_1CL_B.in ├── CARBHB12_1N.in ├── CARBHB12_1N_A.in ├── CARBHB12_1N_B.in ├── CARBHB12_1O.in ├── CARBHB12_1O_A.in ├── CARBHB12_1O_B.in ├── CARBHB12_2CL.in ├── CARBHB12_2CL_A.in ├── CARBHB12_2CL_B.in ├── CARBHB12_2N.in ├── CARBHB12_2N_A.in ├── CARBHB12_2N_B.in ├── CARBHB12_2O.in ├── CARBHB12_2O_A.in ├── CARBHB12_2O_B.in ├── CARBHB12_3CL.in ├── CARBHB12_3CL_A.in ├── CARBHB12_3CL_B.in ├── CARBHB12_3N.in ├── CARBHB12_3N_A.in ├── CARBHB12_3N_B.in ├── CARBHB12_3O.in ├── CARBHB12_3O_A.in ├── CARBHB12_3O_B.in ├── CARBHB12_4CL.in ├── CARBHB12_4CL_A.in ├── CARBHB12_4CL_B.in ├── CARBHB12_4N.in ├── CARBHB12_4N_A.in ├── CARBHB12_4N_B.in ├── CARBHB12_4O.in ├── CARBHB12_4O_A.in ├── CARBHB12_4O_B.in ├── CHB6_22.in ├── CHB6_22A.in ├── CHB6_22B.in ├── CHB6_23.in ├── CHB6_23A.in ├── CHB6_23B.in ├── CHB6_24.in ├── CHB6_24A.in ├── CHB6_24B.in ├── CHB6_25.in ├── CHB6_25A.in ├── CHB6_25B.in ├── CHB6_26.in ├── CHB6_26A.in ├── CHB6_26B.in ├── CHB6_27.in ├── CHB6_27A.in ├── CHB6_27B.in ├── CUAGAU2_A001_H.in ├── CUAGAU2_A003_O.in ├── CUAGAU2_A004_NH3.in ├── CUAGAU2_A005_CO.in ├── CUAGAU2_M001_Cu.in ├── CUAGAU2_M002_Ag.in ├── CUAGAU2_M003_Au.in ├── CUAGAU2_M013_CuO.in ├── CUAGAU2_M014_AgO.in ├── CUAGAU2_M015_AuO.in ├── CUAGAU2_M022_Cu5-i0.in ├── CUAGAU2_M023_Ag5-i0.in ├── CUAGAU2_M024_Au5-i0.in ├── CUAGAU2_M025_Cu6-i0.in ├── CUAGAU2_M026_Ag6-i0.in ├── CUAGAU2_M027_Au6-i0.in ├── CUAGAU2_M031_Cu4-c2.in ├── CUAGAU2_M032_Ag4-c2.in ├── CUAGAU2_M033_Au4-c2.in ├── CUAGAU2_M034_Cu5-c1-i0.in ├── CUAGAU2_M035_Ag5-c1-i0.in ├── CUAGAU2_M036_Au5-c1-i0.in ├── CUAGAU2_M037_Cu5-c2-i0.in ├── CUAGAU2_M038_Ag5-c2-i0.in ├── CUAGAU2_M039_Au5-c2-i0.in ├── CUAGAU2_M040_Cu6-c1-i0.in ├── CUAGAU2_M041_Ag6-c1-i0.in ├── CUAGAU2_M042_Au6-c1-i0.in ├── CUAGAU2_M043_Cu6-c2-i0.in ├── CUAGAU2_M044_Ag6-c2-i0.in ├── CUAGAU2_M045_Ag6-c2-i0.in ├── CUAGAU2_M049_Cu5-i1.in ├── CUAGAU2_M050_Ag5-i1.in ├── CUAGAU2_M051_Au5-i1.in ├── CUAGAU2_M052_Cu6-i1.in ├── CUAGAU2_M053_Ag6-i1.in ├── CUAGAU2_M054_Au6-i1.in ├── CUAGAU2_M058_Cu5-c1-i1.in ├── CUAGAU2_M059_Ag5-c1-i1.in ├── CUAGAU2_M060_Au5-c1-i1.in ├── CUAGAU2_M061_Cu6-c1-i1.in ├── CUAGAU2_M062_Ag6-c1-i1.in ├── CUAGAU2_M063_Au6-c1-i1.in ├── CUAGAU2_M064_Cu5-c2-i1.in ├── CUAGAU2_M065_Ag5-c2-i1.in ├── CUAGAU2_M066_Au5-c2-i1.in ├── CUAGAU2_M067_Cu6-c2-i1.in ├── CUAGAU2_M068_Ag6-c2-i1.in ├── CUAGAU2_M069_Au6-c2-i1.in ├── CUAGAU2_M079_Cu4-c2-O-i0.in ├── CUAGAU2_M080_Ag4-c2-O-i0.in ├── CUAGAU2_M081_Au4-c2-O-i0.in ├── CUAGAU2_M082_Cu4-c2-O-i1.in ├── CUAGAU2_M083_Ag4-c2-O-i1.in ├── CUAGAU2_M084_Au4-c2-O-i1.in ├── CUAGAU2_M085_Cu4-c2-O-i2.in ├── CUAGAU2_M086_Ag4-c2-O-i2.in ├── CUAGAU2_M087_Au4-c2-O-i2.in ├── CUAGAU2_M094_Cu4-c2-CO-i0.in ├── CUAGAU2_M095_Ag4-c2-CO-i0.in ├── CUAGAU2_M096_Au4-c2-CO-i0.in ├── CUAGAU2_M097_Cu4-c2-CO-i1.in ├── CUAGAU2_M098_Ag4-c2-CO-i1.in ├── CUAGAU2_M099_Au4-c2-CO-i1.in ├── CUAGAU2_M100_Cu4-c2-CO-i2.in ├── CUAGAU2_M101_Ag4-c2-CO-i2.in ├── CUAGAU2_M102_Au4-c2-CO-i2.in ├── CUAGAU2_M103_Cu5-c2-H.in ├── CUAGAU2_M104_Ag5-c2-H.in ├── CUAGAU2_M105_Au5-c2-H.in ├── CUAGAU2_M106_Cu6-c2-H.in ├── CUAGAU2_M107_Ag6-c2-H.in ├── CUAGAU2_M108_Au6-c2-H.in ├── CUAGAU2_M109_Cu5-c2-O.in ├── CUAGAU2_M110_Ag5-c2-O.in ├── CUAGAU2_M111_Au5-c2-O.in ├── CUAGAU2_M112_Cu6-c2-O.in ├── CUAGAU2_M113_Ag6-c2-O.in ├── CUAGAU2_M114_Au6-c2-O.in ├── CUAGAU2_M115_Cu5-c2-NH3.in ├── CUAGAU2_M116_Ag5-c2-NH3.in ├── CUAGAU2_M117_Au5-c2-NH3.in ├── CUAGAU2_M118_Cu6-c2-NH3.in ├── CUAGAU2_M119_Ag6-c2-NH3.in ├── CUAGAU2_M120_Au6-c2-NH3.in ├── CUAGAU2_M121_Cu5-c2-CO.in ├── CUAGAU2_M122_Ag5-c2-CO.in ├── CUAGAU2_M123_Au5-c2-CO.in ├── CUAGAU2_M124_Cu6-c2-CO.in ├── CUAGAU2_M125_Ag6-c2-CO.in ├── CUAGAU2_M126_Au6-c2-CO.in ├── CUAGAU_Ag01N0.in ├── CUAGAU_Ag01N0_F.in ├── CUAGAU_Ag01N0_H.in ├── CUAGAU_Ag02N0.in ├── CUAGAU_Ag03C1_D3H.in ├── CUAGAU_Ag03C1_LIN.in ├── CUAGAU_Ag03N0_D3H.in ├── CUAGAU_Ag03N0_LIN.in ├── CUAGAU_Ag04C2.in ├── CUAGAU_Ag04C2_H_A.in ├── CUAGAU_Ag04C2_H_E.in ├── CUAGAU_Ag04C2_H_F.in ├── CUAGAU_Ag04C2_NH3_A.in ├── CUAGAU_Ag04C2_NH3_F.in ├── CUAGAU_Ag04N0.in ├── CUAGAU_Au01N0.in ├── CUAGAU_Au01N0_F.in ├── CUAGAU_Au01N0_H.in ├── CUAGAU_Au02N0.in ├── CUAGAU_Au03C1_D3H.in ├── CUAGAU_Au03C1_LIN.in ├── CUAGAU_Au03N0_D3H.in ├── CUAGAU_Au03N0_LIN.in ├── CUAGAU_Au04C2.in ├── CUAGAU_Au04C2_H_A.in ├── CUAGAU_Au04C2_H_E.in ├── CUAGAU_Au04C2_H_F.in ├── CUAGAU_Au04C2_NH3_A.in ├── CUAGAU_Au04C2_NH3_F.in ├── CUAGAU_Au04N0.in ├── CUAGAU_Cu01N0.in ├── CUAGAU_Cu01N0_F.in ├── CUAGAU_Cu01N0_H.in ├── CUAGAU_Cu02N0.in ├── CUAGAU_Cu03C1_D3H.in ├── CUAGAU_Cu03C1_LIN.in ├── CUAGAU_Cu03N0_D3H.in ├── CUAGAU_Cu03N0_LIN.in ├── CUAGAU_Cu04C2.in ├── CUAGAU_Cu04C2_H_A.in ├── CUAGAU_Cu04C2_H_E.in ├── CUAGAU_Cu04C2_H_F.in ├── CUAGAU_Cu04C2_NH3_A.in ├── CUAGAU_Cu04C2_NH3_F.in ├── CUAGAU_Cu04N0.in ├── CUAGAU_F.in ├── CUAGAU_H.in ├── CUAGAU_NH3.in ├── DAPD_Al.in ├── DAPD_B.in ├── DAPD_C.in ├── DAPD_Cl.in ├── DAPD_F.in ├── DAPD_H.in ├── DAPD_N.in ├── DAPD_O.in ├── DAPD_P.in ├── DAPD_Pd.in ├── DAPD_Pd2.in ├── DAPD_PdAl.in ├── DAPD_PdB.in ├── DAPD_PdC.in ├── DAPD_PdCl.in ├── DAPD_PdF.in ├── DAPD_PdH.in ├── DAPD_PdN.in ├── DAPD_PdO.in ├── DAPD_PdP.in ├── DAPD_PdS.in ├── DAPD_PdSi.in ├── DAPD_S.in ├── DAPD_Si.in ├── DARC_P1.in ├── DARC_P10.in ├── DARC_P10X.in ├── DARC_P2.in ├── DARC_P3.in ├── DARC_P4.in ├── DARC_P5.in ├── DARC_P6.in ├── DARC_P7.in ├── DARC_P7X.in ├── DARC_P8.in ├── DARC_P8X.in ├── DARC_P9.in ├── DARC_P9X.in ├── DARC_butadiene.in ├── DARC_chdiene.in ├── DARC_cpdiene.in ├── DARC_ethene.in ├── DARC_ethine.in ├── DARC_furane.in ├── DARC_malein.in ├── DARC_maleinNH.in ├── DC13_13dip.in ├── DC13_C6Cl6.in ├── DC13_C6H6.in ├── DC13_CL2.in ├── DC13_HCL.in ├── DC13_ISO_C8H8_1.in ├── DC13_ISO_C8H8_41.in ├── DC13_ISO_E35.in ├── DC13_ISO_E36.in ├── DC13_ISO_P35.in ├── DC13_ISO_P36.in ├── DC13_be.in ├── DC13_be4.in ├── DC13_c20bowl.in ├── DC13_c20cage.in ├── DC13_c2h2.in ├── DC13_c2h4.in ├── DC13_carbooxo1.in ├── DC13_carbooxo2.in ├── DC13_ch2n2.in ├── DC13_ethen.in ├── DC13_heptahexaene.in ├── DC13_heptatriyne.in ├── DC13_o3.in ├── DC13_o3_c2h2_add.in ├── DC13_o3_c2h4_add.in ├── DC13_omcb.in ├── DC13_s2.in ├── DC13_s8.in ├── DC13_tmethen.in ├── DIPCS10_be.in ├── DIPCS10_be_2+.in ├── DIPCS10_c2h4.in ├── DIPCS10_c2h4_2+.in ├── DIPCS10_c2h6.in ├── DIPCS10_c2h6_2+.in ├── DIPCS10_c4h4.in ├── DIPCS10_c4h4_2+.in ├── DIPCS10_ch2o.in ├── DIPCS10_ch2o_2+.in ├── DIPCS10_h2s.in ├── DIPCS10_h2s_2+.in ├── DIPCS10_mg.in ├── DIPCS10_mg_2+.in ├── DIPCS10_n2h2.in ├── DIPCS10_n2h2_2+.in ├── DIPCS10_nh3.in ├── DIPCS10_nh3_2+.in ├── DIPCS10_ph3.in ├── DIPCS10_ph3_2+.in ├── Dip146_AlF2+.in ├── Dip146_AlF2-.in ├── Dip146_AlH22+.in ├── Dip146_AlH22-.in ├── Dip146_BF2+.in ├── Dip146_BF2-.in ├── Dip146_BH2+.in ├── Dip146_BH2-.in ├── Dip146_BH22+.in ├── Dip146_BH22-.in ├── Dip146_BH2Cl2+.in ├── Dip146_BH2Cl2-.in ├── Dip146_BH2F2+.in ├── Dip146_BH2F2-.in ├── Dip146_BHCl22+.in ├── Dip146_BHCl22-.in ├── Dip146_BHF22+.in ├── Dip146_BHF22-.in ├── Dip146_BN2+.in ├── Dip146_BN2-.in ├── Dip146_BO2+.in ├── Dip146_BO2-.in ├── Dip146_BS2+.in ├── Dip146_BS2-.in ├── Dip146_BeH2+.in ├── Dip146_BeH2-.in ├── Dip146_C2H2+.in ├── Dip146_C2H2-.in ├── Dip146_C2H30+.in ├── Dip146_C2H30-.in ├── Dip146_C2H31+.in ├── Dip146_C2H31-.in ├── Dip146_C2H50+.in ├── Dip146_C2H50-.in ├── Dip146_C2H51+.in ├── Dip146_C2H51-.in ├── Dip146_CF2+.in ├── Dip146_CF2-.in ├── Dip146_CF22+.in ├── Dip146_CF22-.in ├── Dip146_CH2+.in ├── Dip146_CH2-.in ├── Dip146_CH2BH2+.in ├── Dip146_CH2BH2-.in ├── Dip146_CH2BOH0+.in ├── Dip146_CH2BOH0-.in ├── Dip146_CH2BOH2+.in ├── Dip146_CH2BOH2-.in ├── Dip146_CH2F0+.in ├── Dip146_CH2F0-.in ├── Dip146_CH2F1+.in ├── Dip146_CH2F1-.in ├── Dip146_CH2NH0+.in ├── Dip146_CH2NH0-.in ├── Dip146_CH2NH2+.in ├── Dip146_CH2NH2-.in ├── Dip146_CH2PH0+.in ├── Dip146_CH2PH0-.in ├── Dip146_CH2PH2+.in ├── Dip146_CH2PH2-.in ├── Dip146_CH3BH21+.in ├── Dip146_CH3BH21-.in ├── Dip146_CH3BO2+.in ├── Dip146_CH3BO2-.in ├── Dip146_CH3Cl2+.in ├── Dip146_CH3Cl2-.in ├── Dip146_CH3F2+.in ├── Dip146_CH3F2-.in ├── Dip146_CH3Li2+.in ├── Dip146_CH3Li2-.in ├── Dip146_CH3NH20+.in ├── Dip146_CH3NH20-.in ├── Dip146_CH3NH21+.in ├── Dip146_CH3NH21-.in ├── Dip146_CH3O2+.in ├── Dip146_CH3O2-.in ├── Dip146_CH3OH0+.in ├── Dip146_CH3OH0-.in ├── Dip146_CH3OH1+.in ├── Dip146_CH3OH1-.in ├── Dip146_CH3SH0+.in ├── Dip146_CH3SH0-.in ├── Dip146_CH3SH1+.in ├── Dip146_CH3SH1-.in ├── Dip146_CH3SH2+.in ├── Dip146_CH3SH2-.in ├── Dip146_CN2+.in ├── Dip146_CN2-.in ├── Dip146_CS2+.in ├── Dip146_CS2-.in ├── Dip146_CSO2+.in ├── Dip146_CSO2-.in ├── Dip146_ClCN2+.in ├── Dip146_ClCN2-.in ├── Dip146_ClF2+.in ├── Dip146_ClF2-.in ├── Dip146_ClO22+.in ├── Dip146_ClO22-.in ├── Dip146_FCN2+.in ├── Dip146_FCN2-.in ├── Dip146_FCO0+.in ├── Dip146_FCO0-.in ├── Dip146_FCO1+.in ├── Dip146_FCO1-.in ├── Dip146_FH-BH22+.in ├── Dip146_FH-BH22-.in ├── Dip146_FH-NH22+.in ├── Dip146_FH-NH22-.in ├── Dip146_FH-OH0+.in ├── Dip146_FH-OH0-.in ├── Dip146_FH-OH2+.in ├── Dip146_FH-OH2-.in ├── Dip146_FNO0+.in ├── Dip146_FNO0-.in ├── Dip146_FNO1+.in ├── Dip146_FNO1-.in ├── Dip146_H2CN2+.in ├── Dip146_H2CN2-.in ├── Dip146_H2O-Al0+.in ├── Dip146_H2O-Al0-.in ├── Dip146_H2O-Al1+.in ├── Dip146_H2O-Al1-.in ├── Dip146_H2O-Al2+.in ├── Dip146_H2O-Al2-.in ├── Dip146_H2O-Cl0+.in ├── Dip146_H2O-Cl0-.in ├── Dip146_H2O-Cl1+.in ├── Dip146_H2O-Cl1-.in ├── Dip146_H2O-Cl2+.in ├── Dip146_H2O-Cl2-.in ├── Dip146_H2O-F0+.in ├── Dip146_H2O-F0-.in ├── Dip146_H2O-F1+.in ├── Dip146_H2O-F1-.in ├── Dip146_H2O-F2+.in ├── Dip146_H2O-F2-.in ├── Dip146_H2O-H2O0+.in ├── Dip146_H2O-H2O0-.in ├── Dip146_H2O-H2O2+.in ├── Dip146_H2O-H2O2-.in ├── Dip146_H2O-Li1+.in ├── Dip146_H2O-Li1-.in ├── Dip146_H2O-Li2+.in ├── Dip146_H2O-Li2-.in ├── Dip146_H2O-NH30+.in ├── Dip146_H2O-NH30-.in ├── Dip146_H2O-NH31+.in ├── Dip146_H2O-NH31-.in ├── Dip146_H2O2+.in ├── Dip146_H2O2-.in ├── Dip146_H2S-H2S0+.in ├── Dip146_H2S-H2S0-.in ├── Dip146_H2S-H2S1+.in ├── Dip146_H2S-H2S1-.in ├── Dip146_H2S-HCl0+.in ├── Dip146_H2S-HCl0-.in ├── Dip146_H2S-HCl2+.in ├── Dip146_H2S-HCl2-.in ├── Dip146_HBH2BH2+.in ├── Dip146_HBH2BH2-.in ├── Dip146_HBO2+.in ├── Dip146_HBO2-.in ├── Dip146_HBS2+.in ├── Dip146_HBS2-.in ├── Dip146_HCCCl2+.in ├── Dip146_HCCCl2-.in ├── Dip146_HCCF2+.in ├── Dip146_HCCF2-.in ├── Dip146_HCHO2+.in ├── Dip146_HCHO2-.in ├── Dip146_HCHS2+.in ├── Dip146_HCHS2-.in ├── Dip146_HCN2+.in ├── Dip146_HCN2-.in ├── Dip146_HCNO0+.in ├── Dip146_HCNO0-.in ├── Dip146_HCNO1+.in ├── Dip146_HCNO1-.in ├── Dip146_HCO0+.in ├── Dip146_HCO0-.in ├── Dip146_HCO1+.in ├── Dip146_HCO1-.in ├── Dip146_HCOF0+.in ├── Dip146_HCOF0-.in ├── Dip146_HCOF1+.in ├── Dip146_HCOF1-.in ├── Dip146_HCONH20+.in ├── Dip146_HCONH20-.in ├── Dip146_HCONH21+.in ├── Dip146_HCONH21-.in ├── Dip146_HCOOH0+.in ├── Dip146_HCOOH0-.in ├── Dip146_HCP2+.in ├── Dip146_HCP2-.in ├── Dip146_HCl-HCl0+.in ├── Dip146_HCl-HCl0-.in ├── Dip146_HCl-HCl1+.in ├── Dip146_HCl-HCl1-.in ├── Dip146_HCl2+.in ├── Dip146_HCl2-.in ├── Dip146_HF-HF0+.in ├── Dip146_HF-HF0-.in ├── Dip146_HF-HF1+.in ├── Dip146_HF-HF1-.in ├── Dip146_HF2+.in ├── Dip146_HF2-.in ├── Dip146_HN30+.in ├── Dip146_HN30-.in ├── Dip146_HN31+.in ├── Dip146_HN31-.in ├── Dip146_HNC2+.in ├── Dip146_HNC2-.in ├── Dip146_HNCO0+.in ├── Dip146_HNCO0-.in ├── Dip146_HNCO1+.in ├── Dip146_HNCO1-.in ├── Dip146_HNO0+.in ├── Dip146_HNO0-.in ├── Dip146_HNO2+.in ├── Dip146_HNO2-.in ├── Dip146_HNO20+.in ├── Dip146_HNO20-.in ├── Dip146_HNO21+.in ├── Dip146_HNO21-.in ├── Dip146_HNS1+.in ├── Dip146_HNS1-.in ├── Dip146_HO20+.in ├── Dip146_HO20-.in ├── Dip146_HO21+.in ├── Dip146_HO21-.in ├── Dip146_HOCN0+.in ├── Dip146_HOCN0-.in ├── Dip146_HOCN1+.in ├── Dip146_HOCN1-.in ├── Dip146_HOCl0+.in ├── Dip146_HOCl0-.in ├── Dip146_HOCl2+.in ├── Dip146_HOCl2-.in ├── Dip146_HOF0+.in ├── Dip146_HOF0-.in ├── Dip146_HOF2+.in ├── Dip146_HOF2-.in ├── Dip146_HOOH2+.in ├── Dip146_HOOH2-.in ├── Dip146_HPO0+.in ├── Dip146_HPO0-.in ├── Dip146_HPO1+.in ├── Dip146_HPO1-.in ├── Dip146_LiBH42+.in ├── Dip146_LiBH42-.in ├── Dip146_LiCN0+.in ├── Dip146_LiCN0-.in ├── Dip146_LiCN1+.in ├── Dip146_LiCN1-.in ├── Dip146_LiCl2+.in ├── Dip146_LiCl2-.in ├── Dip146_LiF2+.in ├── Dip146_LiF2-.in ├── Dip146_LiH2+.in ├── Dip146_LiH2-.in ├── Dip146_LiN2+.in ├── Dip146_LiN2-.in ├── Dip146_LiOH2+.in ├── Dip146_LiOH2-.in ├── Dip146_N2H22+.in ├── Dip146_N2H22-.in ├── Dip146_N2H42+.in ├── Dip146_N2H42-.in ├── Dip146_NCO2+.in ├── Dip146_NCO2-.in ├── Dip146_NCl2+.in ├── Dip146_NCl2-.in ├── Dip146_NF22+.in ├── Dip146_NF22-.in ├── Dip146_NH2+.in ├── Dip146_NH2-.in ├── Dip146_NH22+.in ├── Dip146_NH22-.in ├── Dip146_NH2Cl0+.in ├── Dip146_NH2Cl0-.in ├── Dip146_NH2Cl1+.in ├── Dip146_NH2Cl1-.in ├── Dip146_NH2F0+.in ├── Dip146_NH2F0-.in ├── Dip146_NH2F1+.in ├── Dip146_NH2F1-.in ├── Dip146_NH2OH1+.in ├── Dip146_NH2OH1-.in ├── Dip146_NH3-BH32+.in ├── Dip146_NH3-BH32-.in ├── Dip146_NH3-NH30+.in ├── Dip146_NH3-NH30-.in ├── Dip146_NH3-NH32+.in ├── Dip146_NH3-NH32-.in ├── Dip146_NH32+.in ├── Dip146_NH32-.in ├── Dip146_NH3O2+.in ├── Dip146_NH3O2-.in ├── Dip146_NO2+.in ├── Dip146_NO2-.in ├── Dip146_NO22+.in ├── Dip146_NO22-.in ├── Dip146_NOCl0+.in ├── Dip146_NOCl0-.in ├── Dip146_NOCl1+.in ├── Dip146_NOCl1-.in ├── Dip146_NP2+.in ├── Dip146_NP2-.in ├── Dip146_NS2+.in ├── Dip146_NS2-.in ├── Dip146_NaCN0+.in ├── Dip146_NaCN0-.in ├── Dip146_NaCN1+.in ├── Dip146_NaCN1-.in ├── Dip146_NaCl2+.in ├── Dip146_NaCl2-.in ├── Dip146_NaF2+.in ├── Dip146_NaF2-.in ├── Dip146_NaH2+.in ├── Dip146_NaH2-.in ├── Dip146_NaLi2+.in ├── Dip146_NaLi2-.in ├── Dip146_NaOH2+.in ├── Dip146_NaOH2-.in ├── Dip146_O32+.in ├── Dip146_O32-.in ├── Dip146_OCl2+.in ├── Dip146_OCl2-.in ├── Dip146_OCl22+.in ├── Dip146_OCl22-.in ├── Dip146_OF22+.in ├── Dip146_OF22-.in ├── Dip146_OH2+.in ├── Dip146_OH2-.in ├── Dip146_P2H42+.in ├── Dip146_P2H42-.in ├── Dip146_PCl2+.in ├── Dip146_PCl2-.in ├── Dip146_PF2+.in ├── Dip146_PF2-.in ├── Dip146_PH2+.in ├── Dip146_PH2-.in ├── Dip146_PH22+.in ├── Dip146_PH22-.in ├── Dip146_PH2OH0+.in ├── Dip146_PH2OH0-.in ├── Dip146_PH32+.in ├── Dip146_PH32-.in ├── Dip146_PH3O2+.in ├── Dip146_PH3O2-.in ├── Dip146_PO2+.in ├── Dip146_PO2-.in ├── Dip146_PO22+.in ├── Dip146_PO22-.in ├── Dip146_PPO2+.in ├── Dip146_PPO2-.in ├── Dip146_PS2+.in ├── Dip146_PS2-.in ├── Dip146_S2H22+.in ├── Dip146_S2H22-.in ├── Dip146_SCl22+.in ├── Dip146_SCl22-.in ├── Dip146_SF2+.in ├── Dip146_SF2-.in ├── Dip146_SF22+.in ├── Dip146_SF22-.in ├── Dip146_SH2+.in ├── Dip146_SH2-.in ├── Dip146_SH22+.in ├── Dip146_SH22-.in ├── Dip146_SO-trip2+.in ├── Dip146_SO-trip2-.in ├── Dip146_SO22+.in ├── Dip146_SO22-.in ├── Dip146_SiH3Cl2+.in ├── Dip146_SiH3Cl2-.in ├── Dip146_SiH3F2+.in ├── Dip146_SiH3F2-.in ├── Dip146_SiO2+.in ├── Dip146_SiO2-.in ├── EA50_Al.in ├── EA50_Al2.in ├── EA50_Al2_n.in ├── EA50_AlO.in ├── EA50_AlO2.in ├── EA50_AlO2_n.in ├── EA50_AlO_n.in ├── EA50_Al_n.in ├── EA50_As.in ├── EA50_As_n.in ├── EA50_B.in ├── EA50_BH3.in ├── EA50_BH3_n.in ├── EA50_BO.in ├── EA50_BO2.in ├── EA50_BO2_n.in ├── EA50_BO_n.in ├── EA50_B_n.in ├── EA50_BeH.in ├── EA50_BeH_n.in ├── EA50_Br.in ├── EA50_Br_n.in ├── EA50_C2H.in ├── EA50_C2H2.in ├── EA50_C2H2_n.in ├── EA50_C2H_n.in ├── EA50_C2O.in ├── EA50_C2O_n.in ├── EA50_C3.in ├── EA50_C3H3.in ├── EA50_C3H3_n.in ├── EA50_C3_n.in ├── EA50_CH.in ├── EA50_CH2CHO.in ├── EA50_CH2CHO_n.in ├── EA50_CH3.in ├── EA50_CH3C2.in ├── EA50_CH3C2_n.in ├── EA50_CH3O.in ├── EA50_CH3O_n.in ├── EA50_CH3_n.in ├── EA50_CH_n.in ├── EA50_CN.in ├── EA50_CN_n.in ├── EA50_Cl.in ├── EA50_ClO.in ├── EA50_ClO_n.in ├── EA50_Cl_n.in ├── EA50_FO.in ├── EA50_FO_n.in ├── EA50_Ga.in ├── EA50_Ga_n.in ├── EA50_Ge.in ├── EA50_Ge_n.in ├── EA50_HCNN.in ├── EA50_HCNN_n.in ├── EA50_HNO.in ├── EA50_HNO_n.in ├── EA50_Li.in ├── EA50_LiH.in ├── EA50_LiH_n.in ├── EA50_Li_n.in ├── EA50_NCH2.in ├── EA50_NCH2_n.in ├── EA50_NCO.in ├── EA50_NCO_n.in ├── EA50_NH2.in ├── EA50_NH2_n.in ├── EA50_Na.in ├── EA50_Na_n.in ├── EA50_O3.in ├── EA50_O3_n.in ├── EA50_OH.in ├── EA50_OH_n.in ├── EA50_P2.in ├── EA50_P2_n.in ├── EA50_PH.in ├── EA50_PH2.in ├── EA50_PH2_n.in ├── EA50_PH_n.in ├── EA50_PO2.in ├── EA50_PO2_n.in ├── EA50_S2.in ├── EA50_S2_n.in ├── EA50_SF.in ├── EA50_SF_n.in ├── EA50_SH.in ├── EA50_SH_n.in ├── EA50_SO.in ├── EA50_SO_n.in ├── EA50_Se.in ├── EA50_Se_n.in ├── EA50_SiF.in ├── EA50_SiF2.in ├── EA50_SiF2_n.in ├── EA50_SiF_n.in ├── EA50_SiH.in ├── EA50_SiH2.in ├── EA50_SiH2_n.in ├── EA50_SiH_n.in ├── FH51_1-hexene.in ├── FH51_1-pentene.in ├── FH51_1-pentyne.in ├── FH51_2-pentyne.in ├── FH51_3-hexene.in ├── FH51_3-methylpentane.in ├── FH51_C2H4OH_2.in ├── FH51_C2H5CCNCHCH3.in ├── FH51_C2H5CClCHCH3.in ├── FH51_C2H5CO2CH3.in ├── FH51_C2H5CO2H.in ├── FH51_C2H5CONH2.in ├── FH51_C2H5O_2.in ├── FH51_C3H7CHCO.in ├── FH51_C3H7CN.in ├── FH51_C3H7CO2C2H3.in ├── FH51_C3H7CO2H.in ├── FH51_C3H7CONH2.in ├── FH51_C3H7NCO.in ├── FH51_C3H7NH2.in ├── FH51_C3H7SH.in ├── FH51_C3H7S_2.in ├── FH51_C4H9CHO.in ├── FH51_C4H9CO2H.in ├── FH51_C4H9NCO.in ├── FH51_C4H9NH2.in ├── FH51_C4H9NHCONH2.in ├── FH51_C4H9NO2.in ├── FH51_C4H9ONO.in ├── FH51_C4H9SO2H.in ├── FH51_C4H9SO3H.in ├── FH51_C6H12O.in ├── FH51_CO.in ├── FH51_CO2.in ├── FH51_COCl2.in ├── FH51_CO_2NHC3H7_2.in ├── FH51_Cl2.in ├── FH51_H2.in ├── FH51_H2C-C5-CH2.in ├── FH51_H2CO.in ├── FH51_H2O.in ├── FH51_H2O2.in ├── FH51_H2S.in ├── FH51_HCN.in ├── FH51_HCO2C5H11.in ├── FH51_HCON_C2H5_2.in ├── FH51_HCl.in ├── FH51_Heptene.in ├── FH51_NH3.in ├── FH51_OS_C2H5_2.in ├── FH51_S_C2H5_2.in ├── FH51_ax-methylcyclohexene.in ├── FH51_butanediol.in ├── FH51_cis-2-pentene.in ├── FH51_diethylamine.in ├── FH51_diethyloxirane.in ├── FH51_dimethylbutane.in ├── FH51_dimethyloxirane.in ├── FH51_dimethylpyrrole.in ├── FH51_eq-methylcyclohexene.in ├── FH51_ethene.in ├── FH51_ethyl-g-butyrolactone.in ├── FH51_heptatriyne.in ├── FH51_hexandione.in ├── FH51_hexyne.in ├── FH51_methanol.in ├── FH51_methyl-d-valerolactone.in ├── FH51_methylcyclohexa-1-3-diene.in ├── FH51_methylcyclohexa-1-4-diene.in ├── FH51_methylcyclohexane.in ├── FH51_methylfuran.in ├── FH51_methylimidazole.in ├── FH51_methylpyrazole.in ├── FH51_methylpyridine.in ├── FH51_methylpyrrole.in ├── FH51_n-hexane.in ├── FH51_n-nonane.in ├── FH51_neo-hexane.in ├── FH51_pentadiene.in ├── FH51_pentanediol.in ├── FH51_pentanol.in ├── FH51_propylfuran.in ├── FH51_propyloxirane.in ├── FH51_propylthiophene.in ├── FH51_tetramethylpentane.in ├── FH51_toluene.in ├── FH51_trans-2-pentene.in ├── G21EA_EA_10.in ├── G21EA_EA_10n.in ├── G21EA_EA_11.in ├── G21EA_EA_11n.in ├── G21EA_EA_12.in ├── G21EA_EA_12n.in ├── G21EA_EA_13.in ├── G21EA_EA_13n.in ├── G21EA_EA_14.in ├── G21EA_EA_14n.in ├── G21EA_EA_15.in ├── G21EA_EA_15n.in ├── G21EA_EA_16.in ├── G21EA_EA_16n.in ├── G21EA_EA_17.in ├── G21EA_EA_17n.in ├── G21EA_EA_18.in ├── G21EA_EA_18n.in ├── G21EA_EA_19.in ├── G21EA_EA_19n.in ├── G21EA_EA_20.in ├── G21EA_EA_20n.in ├── G21EA_EA_21.in ├── G21EA_EA_21n.in ├── G21EA_EA_22.in ├── G21EA_EA_22n.in ├── G21EA_EA_23.in ├── G21EA_EA_23n.in ├── G21EA_EA_24.in ├── G21EA_EA_24n.in ├── G21EA_EA_25.in ├── G21EA_EA_25n.in ├── G21EA_EA_8.in ├── G21EA_EA_8n.in ├── G21EA_EA_9.in ├── G21EA_EA_9n.in ├── G21EA_EA_c-.in ├── G21EA_EA_c.in ├── G21EA_EA_cl-.in ├── G21EA_EA_cl.in ├── G21EA_EA_f-.in ├── G21EA_EA_f.in ├── G21EA_EA_o-.in ├── G21EA_EA_o.in ├── G21EA_EA_p-.in ├── G21EA_EA_p.in ├── G21EA_EA_s-.in ├── G21EA_EA_s.in ├── G21EA_EA_si-.in ├── G21EA_EA_si.in ├── G21IP_11.in ├── G21IP_12.in ├── G21IP_13.in ├── G21IP_137.in ├── G21IP_14.in ├── G21IP_18.in ├── G21IP_19.in ├── G21IP_20.in ├── G21IP_22.in ├── G21IP_25.in ├── G21IP_26.in ├── G21IP_30.in ├── G21IP_34.in ├── G21IP_37.in ├── G21IP_43.in ├── G21IP_44.in ├── G21IP_45.in ├── G21IP_48.in ├── G21IP_51.in ├── G21IP_8.in ├── G21IP_IP_59.in ├── G21IP_IP_60.in ├── G21IP_IP_61.in ├── G21IP_IP_62.in ├── G21IP_IP_63.in ├── G21IP_IP_64.in ├── G21IP_IP_65.in ├── G21IP_IP_66.in ├── G21IP_IP_67.in ├── G21IP_IP_68.in ├── G21IP_IP_70.in ├── G21IP_IP_71.in ├── G21IP_IP_72.in ├── G21IP_IP_73.in ├── G21IP_IP_74.in ├── G21IP_IP_75.in ├── G21IP_IP_76.in ├── G21IP_IP_77.in ├── G21IP_IP_78.in ├── G21IP_IP_79.in ├── G21IP_IP_80.in ├── G21IP_IP_n65.in ├── G21IP_al+.in ├── G21IP_al.in ├── G21IP_b+.in ├── G21IP_b.in ├── G21IP_be+.in ├── G21IP_be.in ├── G21IP_c+.in ├── G21IP_c.in ├── G21IP_cl+.in ├── G21IP_cl.in ├── G21IP_f+.in ├── G21IP_f.in ├── G21IP_h.in ├── G21IP_li+.in ├── G21IP_li.in ├── G21IP_mg+.in ├── G21IP_mg.in ├── G21IP_n+.in ├── G21IP_n.in ├── G21IP_na+.in ├── G21IP_na.in ├── G21IP_o+.in ├── G21IP_o.in ├── G21IP_p+.in ├── G21IP_p.in ├── G21IP_s+.in ├── G21IP_s.in ├── G21IP_si+.in ├── G21IP_si.in ├── G2RC_1.in ├── G2RC_100.in ├── G2RC_104.in ├── G2RC_106.in ├── G2RC_11.in ├── G2RC_113.in ├── G2RC_117.in ├── G2RC_118.in ├── G2RC_121.in ├── G2RC_126.in ├── G2RC_128.in ├── G2RC_13.in ├── G2RC_14.in ├── G2RC_18.in ├── G2RC_21.in ├── G2RC_22.in ├── G2RC_23.in ├── G2RC_24.in ├── G2RC_25.in ├── G2RC_26.in ├── G2RC_30.in ├── G2RC_32.in ├── G2RC_33.in ├── G2RC_34.in ├── G2RC_39.in ├── G2RC_40.in ├── G2RC_45.in ├── G2RC_47.in ├── G2RC_51.in ├── G2RC_52.in ├── G2RC_56.in ├── G2RC_57.in ├── G2RC_58.in ├── G2RC_59.in ├── G2RC_6.in ├── G2RC_60.in ├── G2RC_61.in ├── G2RC_62.in ├── G2RC_66.in ├── G2RC_67.in ├── G2RC_68.in ├── G2RC_73.in ├── G2RC_8.in ├── G2RC_82.in ├── G2RC_88.in ├── G2RC_94.in ├── G2RC_97.in ├── HB375x10_1.001_OH-O__aceticacid--acetaldehyde_100.in ├── HB375x10_1.001_OH-O__aceticacid--acetaldehyde_monA.in ├── HB375x10_1.001_OH-O__aceticacid--acetaldehyde_monB.in ├── HB375x10_1.002_OH-O__aceticacid--acetamide_100.in ├── HB375x10_1.002_OH-O__aceticacid--acetamide_monA.in ├── HB375x10_1.002_OH-O__aceticacid--acetamide_monB.in ├── HB375x10_1.003_OH-O__aceticacid--acetone_100.in ├── HB375x10_1.003_OH-O__aceticacid--acetone_monA.in ├── HB375x10_1.003_OH-O__aceticacid--acetone_monB.in ├── HB375x10_1.004_OH-O__aceticacid--dimethylcarbonate_100.in ├── HB375x10_1.004_OH-O__aceticacid--dimethylcarbonate_monA.in ├── HB375x10_1.004_OH-O__aceticacid--dimethylcarbonate_monB.in ├── HB375x10_1.005_OH-O__aceticacid--dimethylether_100.in ├── HB375x10_1.005_OH-O__aceticacid--dimethylether_monA.in ├── HB375x10_1.005_OH-O__aceticacid--dimethylether_monB.in ├── HB375x10_1.006_OH-O__aceticacid--dimethylperoxide_100.in ├── HB375x10_1.006_OH-O__aceticacid--dimethylperoxide_monA.in ├── HB375x10_1.006_OH-O__aceticacid--dimethylperoxide_monB.in ├── HB375x10_1.007_OH-O__aceticacid--furan_100.in ├── HB375x10_1.007_OH-O__aceticacid--furan_monA.in ├── HB375x10_1.007_OH-O__aceticacid--furan_monB.in ├── HB375x10_1.008_OH-O__aceticacid--methanol_100.in ├── HB375x10_1.008_OH-O__aceticacid--methanol_monA.in ├── HB375x10_1.008_OH-O__aceticacid--methanol_monB.in ├── HB375x10_1.009_OH-O__aceticacid--methylacetate_100.in ├── HB375x10_1.009_OH-O__aceticacid--methylacetate_monA.in ├── HB375x10_1.009_OH-O__aceticacid--methylacetate_monB.in ├── HB375x10_1.010_OH-O__aceticacid--methylcyanate_100.in ├── HB375x10_1.010_OH-O__aceticacid--methylcyanate_monA.in ├── HB375x10_1.010_OH-O__aceticacid--methylcyanate_monB.in ├── HB375x10_1.011_OH-O__aceticacid--nitromethane_100.in ├── HB375x10_1.011_OH-O__aceticacid--nitromethane_monA.in ├── HB375x10_1.011_OH-O__aceticacid--nitromethane_monB.in ├── HB375x10_1.012_OH-O__aceticacid--nitrosomethane_100.in ├── HB375x10_1.012_OH-O__aceticacid--nitrosomethane_monA.in ├── HB375x10_1.012_OH-O__aceticacid--nitrosomethane_monB.in ├── HB375x10_1.013_OH-O__aceticacid--Nmethylacetamide_100.in ├── HB375x10_1.013_OH-O__aceticacid--Nmethylacetamide_monA.in ├── HB375x10_1.013_OH-O__aceticacid--Nmethylacetamide_monB.in ├── HB375x10_1.014_OH-O__aceticacid--water_100.in ├── HB375x10_1.014_OH-O__aceticacid--water_monA.in ├── HB375x10_1.014_OH-O__aceticacid--water_monB.in ├── HB375x10_1.015_OH-O__methanol--acetaldehyde_100.in ├── HB375x10_1.015_OH-O__methanol--acetaldehyde_monA.in ├── HB375x10_1.015_OH-O__methanol--acetaldehyde_monB.in ├── HB375x10_1.016_OH-O__methanol--acetamide_100.in ├── HB375x10_1.016_OH-O__methanol--acetamide_monA.in ├── HB375x10_1.016_OH-O__methanol--acetamide_monB.in ├── HB375x10_1.017_OH-O__methanol--aceticacid_100.in ├── HB375x10_1.017_OH-O__methanol--aceticacid_monA.in ├── HB375x10_1.017_OH-O__methanol--aceticacid_monB.in ├── HB375x10_1.018_OH-O__methanol--acetone_100.in ├── HB375x10_1.018_OH-O__methanol--acetone_monA.in ├── HB375x10_1.018_OH-O__methanol--acetone_monB.in ├── HB375x10_1.019_OH-O__methanol--dimethylcarbonate_100.in ├── HB375x10_1.019_OH-O__methanol--dimethylcarbonate_monA.in ├── HB375x10_1.019_OH-O__methanol--dimethylcarbonate_monB.in ├── HB375x10_1.020_OH-O__methanol--dimethylether_100.in ├── HB375x10_1.020_OH-O__methanol--dimethylether_monA.in ├── HB375x10_1.020_OH-O__methanol--dimethylether_monB.in ├── HB375x10_1.021_OH-O__methanol--dimethylperoxide_100.in ├── HB375x10_1.021_OH-O__methanol--dimethylperoxide_monA.in ├── HB375x10_1.021_OH-O__methanol--dimethylperoxide_monB.in ├── HB375x10_1.022_OH-O__methanol--furan_100.in ├── HB375x10_1.022_OH-O__methanol--furan_monA.in ├── HB375x10_1.022_OH-O__methanol--furan_monB.in ├── HB375x10_1.023_OH-O__methanol--methanol_100.in ├── HB375x10_1.023_OH-O__methanol--methanol_monA.in ├── HB375x10_1.023_OH-O__methanol--methanol_monB.in ├── HB375x10_1.024_OH-O__methanol--methylacetate_100.in ├── HB375x10_1.024_OH-O__methanol--methylacetate_monA.in ├── HB375x10_1.024_OH-O__methanol--methylacetate_monB.in ├── HB375x10_1.025_OH-O__methanol--nitromethane_100.in ├── HB375x10_1.025_OH-O__methanol--nitromethane_monA.in ├── HB375x10_1.025_OH-O__methanol--nitromethane_monB.in ├── HB375x10_1.026_OH-O__methanol--nitrosomethane_100.in ├── HB375x10_1.026_OH-O__methanol--nitrosomethane_monA.in ├── HB375x10_1.026_OH-O__methanol--nitrosomethane_monB.in ├── HB375x10_1.027_OH-O__methanol--Nmethylacetamide_100.in ├── HB375x10_1.027_OH-O__methanol--Nmethylacetamide_monA.in ├── HB375x10_1.027_OH-O__methanol--Nmethylacetamide_monB.in ├── HB375x10_1.028_OH-O__methanol--phenol_100.in ├── HB375x10_1.028_OH-O__methanol--phenol_monA.in ├── HB375x10_1.028_OH-O__methanol--phenol_monB.in ├── HB375x10_1.029_OH-O__methanol--water_100.in ├── HB375x10_1.029_OH-O__methanol--water_monA.in ├── HB375x10_1.029_OH-O__methanol--water_monB.in ├── HB375x10_1.030_OH-O__phenol--acetaldehyde_100.in ├── HB375x10_1.030_OH-O__phenol--acetaldehyde_monA.in ├── HB375x10_1.030_OH-O__phenol--acetaldehyde_monB.in ├── HB375x10_1.031_OH-O__phenol--acetamide_100.in ├── HB375x10_1.031_OH-O__phenol--acetamide_monA.in ├── HB375x10_1.031_OH-O__phenol--acetamide_monB.in ├── HB375x10_1.032_OH-O__phenol--acetone_100.in ├── HB375x10_1.032_OH-O__phenol--acetone_monA.in ├── HB375x10_1.032_OH-O__phenol--acetone_monB.in ├── HB375x10_1.033_OH-O__phenol--dimethylcarbonate_100.in ├── HB375x10_1.033_OH-O__phenol--dimethylcarbonate_monA.in ├── HB375x10_1.033_OH-O__phenol--dimethylcarbonate_monB.in ├── HB375x10_1.034_OH-O__phenol--dimethylether_100.in ├── HB375x10_1.034_OH-O__phenol--dimethylether_monA.in ├── HB375x10_1.034_OH-O__phenol--dimethylether_monB.in ├── HB375x10_1.035_OH-O__phenol--dimethylperoxide_100.in ├── HB375x10_1.035_OH-O__phenol--dimethylperoxide_monA.in ├── HB375x10_1.035_OH-O__phenol--dimethylperoxide_monB.in ├── HB375x10_1.036_OH-O__phenol--furan_100.in ├── HB375x10_1.036_OH-O__phenol--furan_monA.in ├── HB375x10_1.036_OH-O__phenol--furan_monB.in ├── HB375x10_1.037_OH-O__phenol--methanol_100.in ├── HB375x10_1.037_OH-O__phenol--methanol_monA.in ├── HB375x10_1.037_OH-O__phenol--methanol_monB.in ├── HB375x10_1.038_OH-O__phenol--methylacetate_100.in ├── HB375x10_1.038_OH-O__phenol--methylacetate_monA.in ├── HB375x10_1.038_OH-O__phenol--methylacetate_monB.in ├── HB375x10_1.039_OH-O__phenol--nitromethane_100.in ├── HB375x10_1.039_OH-O__phenol--nitromethane_monA.in ├── HB375x10_1.039_OH-O__phenol--nitromethane_monB.in ├── HB375x10_1.040_OH-O__phenol--nitrosomethane_100.in ├── HB375x10_1.040_OH-O__phenol--nitrosomethane_monA.in ├── HB375x10_1.040_OH-O__phenol--nitrosomethane_monB.in ├── HB375x10_1.041_OH-O__phenol--Nmethylacetamide_100.in ├── HB375x10_1.041_OH-O__phenol--Nmethylacetamide_monA.in ├── HB375x10_1.041_OH-O__phenol--Nmethylacetamide_monB.in ├── HB375x10_1.042_OH-O__phenol--phenol_100.in ├── HB375x10_1.042_OH-O__phenol--phenol_monA.in ├── HB375x10_1.042_OH-O__phenol--phenol_monB.in ├── HB375x10_1.043_OH-O__phenol--water_100.in ├── HB375x10_1.043_OH-O__phenol--water_monA.in ├── HB375x10_1.043_OH-O__phenol--water_monB.in ├── HB375x10_1.044_OH-O__water--acetaldehyde_100.in ├── HB375x10_1.044_OH-O__water--acetaldehyde_monA.in ├── HB375x10_1.044_OH-O__water--acetaldehyde_monB.in ├── HB375x10_1.045_OH-O__water--acetamide_100.in ├── HB375x10_1.045_OH-O__water--acetamide_monA.in ├── HB375x10_1.045_OH-O__water--acetamide_monB.in ├── HB375x10_1.046_OH-O__water--aceticacid_100.in ├── HB375x10_1.046_OH-O__water--aceticacid_monA.in ├── HB375x10_1.046_OH-O__water--aceticacid_monB.in ├── HB375x10_1.047_OH-O__water--acetone_100.in ├── HB375x10_1.047_OH-O__water--acetone_monA.in ├── HB375x10_1.047_OH-O__water--acetone_monB.in ├── HB375x10_1.048_OH-O__water--dimethylcarbonate_100.in ├── HB375x10_1.048_OH-O__water--dimethylcarbonate_monA.in ├── HB375x10_1.048_OH-O__water--dimethylcarbonate_monB.in ├── HB375x10_1.049_OH-O__water--dimethylether_100.in ├── HB375x10_1.049_OH-O__water--dimethylether_monA.in ├── HB375x10_1.049_OH-O__water--dimethylether_monB.in ├── HB375x10_1.050_OH-O__water--dimethylperoxide_100.in ├── HB375x10_1.050_OH-O__water--dimethylperoxide_monA.in ├── HB375x10_1.050_OH-O__water--dimethylperoxide_monB.in ├── HB375x10_1.051_OH-O__water--furan_100.in ├── HB375x10_1.051_OH-O__water--furan_monA.in ├── HB375x10_1.051_OH-O__water--furan_monB.in ├── HB375x10_1.052_OH-O__water--methanol_100.in ├── HB375x10_1.052_OH-O__water--methanol_monA.in ├── HB375x10_1.052_OH-O__water--methanol_monB.in ├── HB375x10_1.053_OH-O__water--methylacetate_100.in ├── HB375x10_1.053_OH-O__water--methylacetate_monA.in ├── HB375x10_1.053_OH-O__water--methylacetate_monB.in ├── HB375x10_1.054_OH-O__water--nitromethane_100.in ├── HB375x10_1.054_OH-O__water--nitromethane_monA.in ├── HB375x10_1.054_OH-O__water--nitromethane_monB.in ├── HB375x10_1.055_OH-O__water--nitrosomethane_100.in ├── HB375x10_1.055_OH-O__water--nitrosomethane_monA.in ├── HB375x10_1.055_OH-O__water--nitrosomethane_monB.in ├── HB375x10_1.056_OH-O__water--Nmethylacetamide_100.in ├── HB375x10_1.056_OH-O__water--Nmethylacetamide_monA.in ├── HB375x10_1.056_OH-O__water--Nmethylacetamide_monB.in ├── HB375x10_1.057_OH-O__water--phenol_100.in ├── HB375x10_1.057_OH-O__water--phenol_monA.in ├── HB375x10_1.057_OH-O__water--phenol_monB.in ├── HB375x10_1.058_OH-O__water--water_100.in ├── HB375x10_1.058_OH-O__water--water_monA.in ├── HB375x10_1.058_OH-O__water--water_monB.in ├── HB375x10_1.059_OH-Ox2__aceticacid--aceticacid_100.in ├── HB375x10_1.059_OH-Ox2__aceticacid--aceticacid_monA.in ├── HB375x10_1.059_OH-Ox2__aceticacid--aceticacid_monB.in ├── HB375x10_1.060_OH-Ox2__phenol--aceticacid_100.in ├── HB375x10_1.060_OH-Ox2__phenol--aceticacid_monA.in ├── HB375x10_1.060_OH-Ox2__phenol--aceticacid_monB.in ├── HB375x10_2.001_NH-O__1Hpyrrole--acetaldehyde_100.in ├── HB375x10_2.001_NH-O__1Hpyrrole--acetaldehyde_monA.in ├── HB375x10_2.001_NH-O__1Hpyrrole--acetaldehyde_monB.in ├── HB375x10_2.002_NH-O__1Hpyrrole--acetamide_100.in ├── HB375x10_2.002_NH-O__1Hpyrrole--acetamide_monA.in ├── HB375x10_2.002_NH-O__1Hpyrrole--acetamide_monB.in ├── HB375x10_2.003_NH-O__1Hpyrrole--aceticacid_100.in ├── HB375x10_2.003_NH-O__1Hpyrrole--aceticacid_monA.in ├── HB375x10_2.003_NH-O__1Hpyrrole--aceticacid_monB.in ├── HB375x10_2.004_NH-O__1Hpyrrole--acetone_100.in ├── HB375x10_2.004_NH-O__1Hpyrrole--acetone_monA.in ├── HB375x10_2.004_NH-O__1Hpyrrole--acetone_monB.in ├── HB375x10_2.005_NH-O__1Hpyrrole--dimethylcarbonate_100.in ├── HB375x10_2.005_NH-O__1Hpyrrole--dimethylcarbonate_monA.in ├── HB375x10_2.005_NH-O__1Hpyrrole--dimethylcarbonate_monB.in ├── HB375x10_2.006_NH-O__1Hpyrrole--dimethylether_100.in ├── HB375x10_2.006_NH-O__1Hpyrrole--dimethylether_monA.in ├── HB375x10_2.006_NH-O__1Hpyrrole--dimethylether_monB.in ├── HB375x10_2.007_NH-O__1Hpyrrole--dimethylperoxide_100.in ├── HB375x10_2.007_NH-O__1Hpyrrole--dimethylperoxide_monA.in ├── HB375x10_2.007_NH-O__1Hpyrrole--dimethylperoxide_monB.in ├── HB375x10_2.008_NH-O__1Hpyrrole--methanol_100.in ├── HB375x10_2.008_NH-O__1Hpyrrole--methanol_monA.in ├── HB375x10_2.008_NH-O__1Hpyrrole--methanol_monB.in ├── HB375x10_2.009_NH-O__1Hpyrrole--methylacetate_100.in ├── HB375x10_2.009_NH-O__1Hpyrrole--methylacetate_monA.in ├── HB375x10_2.009_NH-O__1Hpyrrole--methylacetate_monB.in ├── HB375x10_2.010_NH-O__1Hpyrrole--nitromethane_100.in ├── HB375x10_2.010_NH-O__1Hpyrrole--nitromethane_monA.in ├── HB375x10_2.010_NH-O__1Hpyrrole--nitromethane_monB.in ├── HB375x10_2.011_NH-O__1Hpyrrole--Nmethylacetamide_100.in ├── HB375x10_2.011_NH-O__1Hpyrrole--Nmethylacetamide_monA.in ├── HB375x10_2.011_NH-O__1Hpyrrole--Nmethylacetamide_monB.in ├── HB375x10_2.012_NH-O__1Hpyrrole--phenol_100.in ├── HB375x10_2.012_NH-O__1Hpyrrole--phenol_monA.in ├── HB375x10_2.012_NH-O__1Hpyrrole--phenol_monB.in ├── HB375x10_2.013_NH-O__1Hpyrrole--water_100.in ├── HB375x10_2.013_NH-O__1Hpyrrole--water_monA.in ├── HB375x10_2.013_NH-O__1Hpyrrole--water_monB.in ├── HB375x10_2.014_NH-O__ammonia--acetaldehyde_100.in ├── HB375x10_2.014_NH-O__ammonia--acetaldehyde_monA.in ├── HB375x10_2.014_NH-O__ammonia--acetaldehyde_monB.in ├── HB375x10_2.015_NH-O__ammonia--acetamide_100.in ├── HB375x10_2.015_NH-O__ammonia--acetamide_monA.in ├── HB375x10_2.015_NH-O__ammonia--acetamide_monB.in ├── HB375x10_2.016_NH-O__ammonia--aceticacid_100.in ├── HB375x10_2.016_NH-O__ammonia--aceticacid_monA.in ├── HB375x10_2.016_NH-O__ammonia--aceticacid_monB.in ├── HB375x10_2.017_NH-O__ammonia--acetone_100.in ├── HB375x10_2.017_NH-O__ammonia--acetone_monA.in ├── HB375x10_2.017_NH-O__ammonia--acetone_monB.in ├── HB375x10_2.018_NH-O__ammonia--dimethylcarbonate_100.in ├── HB375x10_2.018_NH-O__ammonia--dimethylcarbonate_monA.in ├── HB375x10_2.018_NH-O__ammonia--dimethylcarbonate_monB.in ├── HB375x10_2.019_NH-O__ammonia--dimethylether_100.in ├── HB375x10_2.019_NH-O__ammonia--dimethylether_monA.in ├── HB375x10_2.019_NH-O__ammonia--dimethylether_monB.in ├── HB375x10_2.020_NH-O__ammonia--dimethylperoxide_100.in ├── HB375x10_2.020_NH-O__ammonia--dimethylperoxide_monA.in ├── HB375x10_2.020_NH-O__ammonia--dimethylperoxide_monB.in ├── HB375x10_2.021_NH-O__ammonia--furan_100.in ├── HB375x10_2.021_NH-O__ammonia--furan_monA.in ├── HB375x10_2.021_NH-O__ammonia--furan_monB.in ├── HB375x10_2.022_NH-O__ammonia--methylacetate_100.in ├── HB375x10_2.022_NH-O__ammonia--methylacetate_monA.in ├── HB375x10_2.022_NH-O__ammonia--methylacetate_monB.in ├── HB375x10_2.023_NH-O__ammonia--nitrosomethane_100.in ├── HB375x10_2.023_NH-O__ammonia--nitrosomethane_monA.in ├── HB375x10_2.023_NH-O__ammonia--nitrosomethane_monB.in ├── HB375x10_2.024_NH-O__ammonia--Nmethylacetamide_100.in ├── HB375x10_2.024_NH-O__ammonia--Nmethylacetamide_monA.in ├── HB375x10_2.024_NH-O__ammonia--Nmethylacetamide_monB.in ├── HB375x10_2.025_NH-O__ammonia--phenol_100.in ├── HB375x10_2.025_NH-O__ammonia--phenol_monA.in ├── HB375x10_2.025_NH-O__ammonia--phenol_monB.in ├── HB375x10_2.026_NH-O__aniline--acetaldehyde_100.in ├── HB375x10_2.026_NH-O__aniline--acetaldehyde_monA.in ├── HB375x10_2.026_NH-O__aniline--acetaldehyde_monB.in ├── HB375x10_2.027_NH-O__aniline--acetamide_100.in ├── HB375x10_2.027_NH-O__aniline--acetamide_monA.in ├── HB375x10_2.027_NH-O__aniline--acetamide_monB.in ├── HB375x10_2.028_NH-O__aniline--aceticacid_100.in ├── HB375x10_2.028_NH-O__aniline--aceticacid_monA.in ├── HB375x10_2.028_NH-O__aniline--aceticacid_monB.in ├── HB375x10_2.029_NH-O__aniline--acetone_100.in ├── HB375x10_2.029_NH-O__aniline--acetone_monA.in ├── HB375x10_2.029_NH-O__aniline--acetone_monB.in ├── HB375x10_2.030_NH-O__aniline--dimethylcarbonate_100.in ├── HB375x10_2.030_NH-O__aniline--dimethylcarbonate_monA.in ├── HB375x10_2.030_NH-O__aniline--dimethylcarbonate_monB.in ├── HB375x10_2.031_NH-O__aniline--dimethylether_100.in ├── HB375x10_2.031_NH-O__aniline--dimethylether_monA.in ├── HB375x10_2.031_NH-O__aniline--dimethylether_monB.in ├── HB375x10_2.032_NH-O__aniline--dimethylperoxide_100.in ├── HB375x10_2.032_NH-O__aniline--dimethylperoxide_monA.in ├── HB375x10_2.032_NH-O__aniline--dimethylperoxide_monB.in ├── HB375x10_2.033_NH-O__aniline--methanol_100.in ├── HB375x10_2.033_NH-O__aniline--methanol_monA.in ├── HB375x10_2.033_NH-O__aniline--methanol_monB.in ├── HB375x10_2.034_NH-O__aniline--methylacetate_100.in ├── HB375x10_2.034_NH-O__aniline--methylacetate_monA.in ├── HB375x10_2.034_NH-O__aniline--methylacetate_monB.in ├── HB375x10_2.035_NH-O__aniline--Nmethylacetamide_100.in ├── HB375x10_2.035_NH-O__aniline--Nmethylacetamide_monA.in ├── HB375x10_2.035_NH-O__aniline--Nmethylacetamide_monB.in ├── HB375x10_2.036_NH-O__aniline--water_100.in ├── HB375x10_2.036_NH-O__aniline--water_monA.in ├── HB375x10_2.036_NH-O__aniline--water_monB.in ├── HB375x10_2.037_NH-O__dimethylamine--acetaldehyde_100.in ├── HB375x10_2.037_NH-O__dimethylamine--acetaldehyde_monA.in ├── HB375x10_2.037_NH-O__dimethylamine--acetaldehyde_monB.in ├── HB375x10_2.038_NH-O__dimethylamine--acetamide_100.in ├── HB375x10_2.038_NH-O__dimethylamine--acetamide_monA.in ├── HB375x10_2.038_NH-O__dimethylamine--acetamide_monB.in ├── HB375x10_2.039_NH-O__dimethylamine--aceticacid_100.in ├── HB375x10_2.039_NH-O__dimethylamine--aceticacid_monA.in ├── HB375x10_2.039_NH-O__dimethylamine--aceticacid_monB.in ├── HB375x10_2.040_NH-O__dimethylamine--acetone_100.in ├── HB375x10_2.040_NH-O__dimethylamine--acetone_monA.in ├── HB375x10_2.040_NH-O__dimethylamine--acetone_monB.in ├── HB375x10_2.041_NH-O__dimethylamine--dimethylcarbonate_100.in ├── HB375x10_2.041_NH-O__dimethylamine--dimethylcarbonate_monA.in ├── HB375x10_2.041_NH-O__dimethylamine--dimethylcarbonate_monB.in ├── HB375x10_2.042_NH-O__dimethylamine--dimethylether_100.in ├── HB375x10_2.042_NH-O__dimethylamine--dimethylether_monA.in ├── HB375x10_2.042_NH-O__dimethylamine--dimethylether_monB.in ├── HB375x10_2.043_NH-O__dimethylamine--dimethylperoxide_100.in ├── HB375x10_2.043_NH-O__dimethylamine--dimethylperoxide_monA.in ├── HB375x10_2.043_NH-O__dimethylamine--dimethylperoxide_monB.in ├── HB375x10_2.044_NH-O__dimethylamine--methanol_100.in ├── HB375x10_2.044_NH-O__dimethylamine--methanol_monA.in ├── HB375x10_2.044_NH-O__dimethylamine--methanol_monB.in ├── HB375x10_2.045_NH-O__dimethylamine--methylacetate_100.in ├── HB375x10_2.045_NH-O__dimethylamine--methylacetate_monA.in ├── HB375x10_2.045_NH-O__dimethylamine--methylacetate_monB.in ├── HB375x10_2.046_NH-O__dimethylamine--Nmethylacetamide_100.in ├── HB375x10_2.046_NH-O__dimethylamine--Nmethylacetamide_monA.in ├── HB375x10_2.046_NH-O__dimethylamine--Nmethylacetamide_monB.in ├── HB375x10_2.047_NH-O__dimethylamine--phenol_100.in ├── HB375x10_2.047_NH-O__dimethylamine--phenol_monA.in ├── HB375x10_2.047_NH-O__dimethylamine--phenol_monB.in ├── HB375x10_2.048_NH-O__methylamine--acetaldehyde_100.in ├── HB375x10_2.048_NH-O__methylamine--acetaldehyde_monA.in ├── HB375x10_2.048_NH-O__methylamine--acetaldehyde_monB.in ├── HB375x10_2.049_NH-O__methylamine--acetamide_100.in ├── HB375x10_2.049_NH-O__methylamine--acetamide_monA.in ├── HB375x10_2.049_NH-O__methylamine--acetamide_monB.in ├── HB375x10_2.050_NH-O__methylamine--aceticacid_100.in ├── HB375x10_2.050_NH-O__methylamine--aceticacid_monA.in ├── HB375x10_2.050_NH-O__methylamine--aceticacid_monB.in ├── HB375x10_2.051_NH-O__methylamine--acetone_100.in ├── HB375x10_2.051_NH-O__methylamine--acetone_monA.in ├── HB375x10_2.051_NH-O__methylamine--acetone_monB.in ├── HB375x10_2.052_NH-O__methylamine--dimethylcarbonate_100.in ├── HB375x10_2.052_NH-O__methylamine--dimethylcarbonate_monA.in ├── HB375x10_2.052_NH-O__methylamine--dimethylcarbonate_monB.in ├── HB375x10_2.053_NH-O__methylamine--dimethylether_100.in ├── HB375x10_2.053_NH-O__methylamine--dimethylether_monA.in ├── HB375x10_2.053_NH-O__methylamine--dimethylether_monB.in ├── HB375x10_2.054_NH-O__methylamine--dimethylperoxide_100.in ├── HB375x10_2.054_NH-O__methylamine--dimethylperoxide_monA.in ├── HB375x10_2.054_NH-O__methylamine--dimethylperoxide_monB.in ├── HB375x10_2.055_NH-O__methylamine--methylacetate_100.in ├── HB375x10_2.055_NH-O__methylamine--methylacetate_monA.in ├── HB375x10_2.055_NH-O__methylamine--methylacetate_monB.in ├── HB375x10_2.056_NH-O__methylamine--Nmethylacetamide_100.in ├── HB375x10_2.056_NH-O__methylamine--Nmethylacetamide_monA.in ├── HB375x10_2.056_NH-O__methylamine--Nmethylacetamide_monB.in ├── HB375x10_2.057_NH-O__Nmethylacetamide--acetamide_100.in ├── HB375x10_2.057_NH-O__Nmethylacetamide--acetamide_monA.in ├── HB375x10_2.057_NH-O__Nmethylacetamide--acetamide_monB.in ├── HB375x10_2.058_NH-O__Nmethylacetamide--aceticacid_100.in ├── HB375x10_2.058_NH-O__Nmethylacetamide--aceticacid_monA.in ├── HB375x10_2.058_NH-O__Nmethylacetamide--aceticacid_monB.in ├── HB375x10_2.059_NH-O__Nmethylacetamide--dimethylcarbonate_100.in ├── HB375x10_2.059_NH-O__Nmethylacetamide--dimethylcarbonate_monA.in ├── HB375x10_2.059_NH-O__Nmethylacetamide--dimethylcarbonate_monB.in ├── HB375x10_2.060_NH-O__Nmethylacetamide--dimethylether_100.in ├── HB375x10_2.060_NH-O__Nmethylacetamide--dimethylether_monA.in ├── HB375x10_2.060_NH-O__Nmethylacetamide--dimethylether_monB.in ├── HB375x10_2.061_NH-O__Nmethylacetamide--dimethylperoxide_100.in ├── HB375x10_2.061_NH-O__Nmethylacetamide--dimethylperoxide_monA.in ├── HB375x10_2.061_NH-O__Nmethylacetamide--dimethylperoxide_monB.in ├── HB375x10_2.062_NH-O__Nmethylacetamide--methanol_100.in ├── HB375x10_2.062_NH-O__Nmethylacetamide--methanol_monA.in ├── HB375x10_2.062_NH-O__Nmethylacetamide--methanol_monB.in ├── HB375x10_2.063_NH-O__Nmethylacetamide--Nmethylacetamide_100.in ├── HB375x10_2.063_NH-O__Nmethylacetamide--Nmethylacetamide_monA.in ├── HB375x10_2.063_NH-O__Nmethylacetamide--Nmethylacetamide_monB.in ├── HB375x10_2.064_NH-O__Nmethylacetamide--phenol_100.in ├── HB375x10_2.064_NH-O__Nmethylacetamide--phenol_monA.in ├── HB375x10_2.064_NH-O__Nmethylacetamide--phenol_monB.in ├── HB375x10_2.065_NH-O__Nmethylacetamide--water_100.in ├── HB375x10_2.065_NH-O__Nmethylacetamide--water_monA.in ├── HB375x10_2.065_NH-O__Nmethylacetamide--water_monB.in ├── HB375x10_3.001_OH-N__aceticacid--acetonitrile_100.in ├── HB375x10_3.001_OH-N__aceticacid--acetonitrile_monA.in ├── HB375x10_3.001_OH-N__aceticacid--acetonitrile_monB.in ├── HB375x10_3.002_OH-N__aceticacid--ammonia_100.in ├── HB375x10_3.002_OH-N__aceticacid--ammonia_monA.in ├── HB375x10_3.002_OH-N__aceticacid--ammonia_monB.in ├── HB375x10_3.003_OH-N__aceticacid--aniline_100.in ├── HB375x10_3.003_OH-N__aceticacid--aniline_monA.in ├── HB375x10_3.003_OH-N__aceticacid--aniline_monB.in ├── HB375x10_3.004_OH-N__aceticacid--dimethylamine_100.in ├── HB375x10_3.004_OH-N__aceticacid--dimethylamine_monA.in ├── HB375x10_3.004_OH-N__aceticacid--dimethylamine_monB.in ├── HB375x10_3.005_OH-N__aceticacid--dimethyldiazene_100.in ├── HB375x10_3.005_OH-N__aceticacid--dimethyldiazene_monA.in ├── HB375x10_3.005_OH-N__aceticacid--dimethyldiazene_monB.in ├── HB375x10_3.006_OH-N__aceticacid--methylamine_100.in ├── HB375x10_3.006_OH-N__aceticacid--methylamine_monA.in ├── HB375x10_3.006_OH-N__aceticacid--methylamine_monB.in ├── HB375x10_3.007_OH-N__aceticacid--methylazide_100.in ├── HB375x10_3.007_OH-N__aceticacid--methylazide_monA.in ├── HB375x10_3.007_OH-N__aceticacid--methylazide_monB.in ├── HB375x10_3.008_OH-N__aceticacid--methylcyanate_100.in ├── HB375x10_3.008_OH-N__aceticacid--methylcyanate_monA.in ├── HB375x10_3.008_OH-N__aceticacid--methylcyanate_monB.in ├── HB375x10_3.009_OH-N__aceticacid--nitrosomethane_100.in ├── HB375x10_3.009_OH-N__aceticacid--nitrosomethane_monA.in ├── HB375x10_3.009_OH-N__aceticacid--nitrosomethane_monB.in ├── HB375x10_3.010_OH-N__aceticacid--Nmethyl2propanimine_100.in ├── HB375x10_3.010_OH-N__aceticacid--Nmethyl2propanimine_monA.in ├── HB375x10_3.010_OH-N__aceticacid--Nmethyl2propanimine_monB.in ├── HB375x10_3.011_OH-N__aceticacid--pyridine_100.in ├── HB375x10_3.011_OH-N__aceticacid--pyridine_monA.in ├── HB375x10_3.011_OH-N__aceticacid--pyridine_monB.in ├── HB375x10_3.012_OH-N__aceticacid--trimethylamine_100.in ├── HB375x10_3.012_OH-N__aceticacid--trimethylamine_monA.in ├── HB375x10_3.012_OH-N__aceticacid--trimethylamine_monB.in ├── HB375x10_3.013_OH-N__methanol--acetonitrile_100.in ├── HB375x10_3.013_OH-N__methanol--acetonitrile_monA.in ├── HB375x10_3.013_OH-N__methanol--acetonitrile_monB.in ├── HB375x10_3.014_OH-N__methanol--ammonia_100.in ├── HB375x10_3.014_OH-N__methanol--ammonia_monA.in ├── HB375x10_3.014_OH-N__methanol--ammonia_monB.in ├── HB375x10_3.015_OH-N__methanol--aniline_100.in ├── HB375x10_3.015_OH-N__methanol--aniline_monA.in ├── HB375x10_3.015_OH-N__methanol--aniline_monB.in ├── HB375x10_3.016_OH-N__methanol--dimethylamine_100.in ├── HB375x10_3.016_OH-N__methanol--dimethylamine_monA.in ├── HB375x10_3.016_OH-N__methanol--dimethylamine_monB.in ├── HB375x10_3.017_OH-N__methanol--dimethyldiazene_100.in ├── HB375x10_3.017_OH-N__methanol--dimethyldiazene_monA.in ├── HB375x10_3.017_OH-N__methanol--dimethyldiazene_monB.in ├── HB375x10_3.018_OH-N__methanol--methylamine_100.in ├── HB375x10_3.018_OH-N__methanol--methylamine_monA.in ├── HB375x10_3.018_OH-N__methanol--methylamine_monB.in ├── HB375x10_3.019_OH-N__methanol--methylazide_100.in ├── HB375x10_3.019_OH-N__methanol--methylazide_monA.in ├── HB375x10_3.019_OH-N__methanol--methylazide_monB.in ├── HB375x10_3.020_OH-N__methanol--methylcyanate_100.in ├── HB375x10_3.020_OH-N__methanol--methylcyanate_monA.in ├── HB375x10_3.020_OH-N__methanol--methylcyanate_monB.in ├── HB375x10_3.021_OH-N__methanol--Nmethyl2propanimine_100.in ├── HB375x10_3.021_OH-N__methanol--Nmethyl2propanimine_monA.in ├── HB375x10_3.021_OH-N__methanol--Nmethyl2propanimine_monB.in ├── HB375x10_3.022_OH-N__methanol--pyridine_100.in ├── HB375x10_3.022_OH-N__methanol--pyridine_monA.in ├── HB375x10_3.022_OH-N__methanol--pyridine_monB.in ├── HB375x10_3.023_OH-N__methanol--trimethylamine_100.in ├── HB375x10_3.023_OH-N__methanol--trimethylamine_monA.in ├── HB375x10_3.023_OH-N__methanol--trimethylamine_monB.in ├── HB375x10_3.024_OH-N__phenol--acetonitrile_100.in ├── HB375x10_3.024_OH-N__phenol--acetonitrile_monA.in ├── HB375x10_3.024_OH-N__phenol--acetonitrile_monB.in ├── HB375x10_3.025_OH-N__phenol--ammonia_100.in ├── HB375x10_3.025_OH-N__phenol--ammonia_monA.in ├── HB375x10_3.025_OH-N__phenol--ammonia_monB.in ├── HB375x10_3.026_OH-N__phenol--aniline_100.in ├── HB375x10_3.026_OH-N__phenol--aniline_monA.in ├── HB375x10_3.026_OH-N__phenol--aniline_monB.in ├── HB375x10_3.027_OH-N__phenol--dimethylamine_100.in ├── HB375x10_3.027_OH-N__phenol--dimethylamine_monA.in ├── HB375x10_3.027_OH-N__phenol--dimethylamine_monB.in ├── HB375x10_3.028_OH-N__phenol--dimethyldiazene_100.in ├── HB375x10_3.028_OH-N__phenol--dimethyldiazene_monA.in ├── HB375x10_3.028_OH-N__phenol--dimethyldiazene_monB.in ├── HB375x10_3.029_OH-N__phenol--methylamine_100.in ├── HB375x10_3.029_OH-N__phenol--methylamine_monA.in ├── HB375x10_3.029_OH-N__phenol--methylamine_monB.in ├── HB375x10_3.030_OH-N__phenol--methylazide_100.in ├── HB375x10_3.030_OH-N__phenol--methylazide_monA.in ├── HB375x10_3.030_OH-N__phenol--methylazide_monB.in ├── HB375x10_3.031_OH-N__phenol--methylcyanate_100.in ├── HB375x10_3.031_OH-N__phenol--methylcyanate_monA.in ├── HB375x10_3.031_OH-N__phenol--methylcyanate_monB.in ├── HB375x10_3.032_OH-N__phenol--Nmethyl2propanimine_100.in ├── HB375x10_3.032_OH-N__phenol--Nmethyl2propanimine_monA.in ├── HB375x10_3.032_OH-N__phenol--Nmethyl2propanimine_monB.in ├── HB375x10_3.033_OH-N__phenol--pyridine_100.in ├── HB375x10_3.033_OH-N__phenol--pyridine_monA.in ├── HB375x10_3.033_OH-N__phenol--pyridine_monB.in ├── HB375x10_3.034_OH-N__phenol--trimethylamine_100.in ├── HB375x10_3.034_OH-N__phenol--trimethylamine_monA.in ├── HB375x10_3.034_OH-N__phenol--trimethylamine_monB.in ├── HB375x10_3.035_OH-N__water--acetonitrile_100.in ├── HB375x10_3.035_OH-N__water--acetonitrile_monA.in ├── HB375x10_3.035_OH-N__water--acetonitrile_monB.in ├── HB375x10_3.036_OH-N__water--ammonia_100.in ├── HB375x10_3.036_OH-N__water--ammonia_monA.in ├── HB375x10_3.036_OH-N__water--ammonia_monB.in ├── HB375x10_3.037_OH-N__water--aniline_100.in ├── HB375x10_3.037_OH-N__water--aniline_monA.in ├── HB375x10_3.037_OH-N__water--aniline_monB.in ├── HB375x10_3.038_OH-N__water--dimethylamine_100.in ├── HB375x10_3.038_OH-N__water--dimethylamine_monA.in ├── HB375x10_3.038_OH-N__water--dimethylamine_monB.in ├── HB375x10_3.039_OH-N__water--dimethyldiazene_100.in ├── HB375x10_3.039_OH-N__water--dimethyldiazene_monA.in ├── HB375x10_3.039_OH-N__water--dimethyldiazene_monB.in ├── HB375x10_3.040_OH-N__water--methylamine_100.in ├── HB375x10_3.040_OH-N__water--methylamine_monA.in ├── HB375x10_3.040_OH-N__water--methylamine_monB.in ├── HB375x10_3.041_OH-N__water--methylazide_100.in ├── HB375x10_3.041_OH-N__water--methylazide_monA.in ├── HB375x10_3.041_OH-N__water--methylazide_monB.in ├── HB375x10_3.042_OH-N__water--methylcyanate_100.in ├── HB375x10_3.042_OH-N__water--methylcyanate_monA.in ├── HB375x10_3.042_OH-N__water--methylcyanate_monB.in ├── HB375x10_3.043_OH-N__water--Nmethyl2propanimine_100.in ├── HB375x10_3.043_OH-N__water--Nmethyl2propanimine_monA.in ├── HB375x10_3.043_OH-N__water--Nmethyl2propanimine_monB.in ├── HB375x10_3.044_OH-N__water--pyridine_100.in ├── HB375x10_3.044_OH-N__water--pyridine_monA.in ├── HB375x10_3.044_OH-N__water--pyridine_monB.in ├── HB375x10_3.045_OH-N__water--trimethylamine_100.in ├── HB375x10_3.045_OH-N__water--trimethylamine_monA.in ├── HB375x10_3.045_OH-N__water--trimethylamine_monB.in ├── HB375x10_4.001_NH-N__1Hpyrrole--acetonitrile_100.in ├── HB375x10_4.001_NH-N__1Hpyrrole--acetonitrile_monA.in ├── HB375x10_4.001_NH-N__1Hpyrrole--acetonitrile_monB.in ├── HB375x10_4.002_NH-N__1Hpyrrole--ammonia_100.in ├── HB375x10_4.002_NH-N__1Hpyrrole--ammonia_monA.in ├── HB375x10_4.002_NH-N__1Hpyrrole--ammonia_monB.in ├── HB375x10_4.003_NH-N__1Hpyrrole--aniline_100.in ├── HB375x10_4.003_NH-N__1Hpyrrole--aniline_monA.in ├── HB375x10_4.003_NH-N__1Hpyrrole--aniline_monB.in ├── HB375x10_4.004_NH-N__1Hpyrrole--dimethylamine_100.in ├── HB375x10_4.004_NH-N__1Hpyrrole--dimethylamine_monA.in ├── HB375x10_4.004_NH-N__1Hpyrrole--dimethylamine_monB.in ├── HB375x10_4.005_NH-N__1Hpyrrole--dimethyldiazene_100.in ├── HB375x10_4.005_NH-N__1Hpyrrole--dimethyldiazene_monA.in ├── HB375x10_4.005_NH-N__1Hpyrrole--dimethyldiazene_monB.in ├── HB375x10_4.006_NH-N__1Hpyrrole--methylamine_100.in ├── HB375x10_4.006_NH-N__1Hpyrrole--methylamine_monA.in ├── HB375x10_4.006_NH-N__1Hpyrrole--methylamine_monB.in ├── HB375x10_4.007_NH-N__1Hpyrrole--methylcyanate_100.in ├── HB375x10_4.007_NH-N__1Hpyrrole--methylcyanate_monA.in ├── HB375x10_4.007_NH-N__1Hpyrrole--methylcyanate_monB.in ├── HB375x10_4.008_NH-N__1Hpyrrole--Nmethyl2propanimine_100.in ├── HB375x10_4.008_NH-N__1Hpyrrole--Nmethyl2propanimine_monA.in ├── HB375x10_4.008_NH-N__1Hpyrrole--Nmethyl2propanimine_monB.in ├── HB375x10_4.009_NH-N__1Hpyrrole--pyridine_100.in ├── HB375x10_4.009_NH-N__1Hpyrrole--pyridine_monA.in ├── HB375x10_4.009_NH-N__1Hpyrrole--pyridine_monB.in ├── HB375x10_4.010_NH-N__1Hpyrrole--trimethylamine_100.in ├── HB375x10_4.010_NH-N__1Hpyrrole--trimethylamine_monA.in ├── HB375x10_4.010_NH-N__1Hpyrrole--trimethylamine_monB.in ├── HB375x10_4.011_NH-N__ammonia--ammonia_100.in ├── HB375x10_4.011_NH-N__ammonia--ammonia_monA.in ├── HB375x10_4.011_NH-N__ammonia--ammonia_monB.in ├── HB375x10_4.012_NH-N__ammonia--dimethylamine_100.in ├── HB375x10_4.012_NH-N__ammonia--dimethylamine_monA.in ├── HB375x10_4.012_NH-N__ammonia--dimethylamine_monB.in ├── HB375x10_4.013_NH-N__ammonia--dimethyldiazene_100.in ├── HB375x10_4.013_NH-N__ammonia--dimethyldiazene_monA.in ├── HB375x10_4.013_NH-N__ammonia--dimethyldiazene_monB.in ├── HB375x10_4.014_NH-N__ammonia--methylamine_100.in ├── HB375x10_4.014_NH-N__ammonia--methylamine_monA.in ├── HB375x10_4.014_NH-N__ammonia--methylamine_monB.in ├── HB375x10_4.015_NH-N__ammonia--Nmethyl2propanimine_100.in ├── HB375x10_4.015_NH-N__ammonia--Nmethyl2propanimine_monA.in ├── HB375x10_4.015_NH-N__ammonia--Nmethyl2propanimine_monB.in ├── HB375x10_4.016_NH-N__ammonia--pyridine_100.in ├── HB375x10_4.016_NH-N__ammonia--pyridine_monA.in ├── HB375x10_4.016_NH-N__ammonia--pyridine_monB.in ├── HB375x10_4.017_NH-N__ammonia--trimethylamine_100.in ├── HB375x10_4.017_NH-N__ammonia--trimethylamine_monA.in ├── HB375x10_4.017_NH-N__ammonia--trimethylamine_monB.in ├── HB375x10_4.018_NH-N__aniline--ammonia_100.in ├── HB375x10_4.018_NH-N__aniline--ammonia_monA.in ├── HB375x10_4.018_NH-N__aniline--ammonia_monB.in ├── HB375x10_4.019_NH-N__aniline--aniline_100.in ├── HB375x10_4.019_NH-N__aniline--aniline_monA.in ├── HB375x10_4.019_NH-N__aniline--aniline_monB.in ├── HB375x10_4.020_NH-N__aniline--dimethylamine_100.in ├── HB375x10_4.020_NH-N__aniline--dimethylamine_monA.in ├── HB375x10_4.020_NH-N__aniline--dimethylamine_monB.in ├── HB375x10_4.021_NH-N__aniline--dimethyldiazene_100.in ├── HB375x10_4.021_NH-N__aniline--dimethyldiazene_monA.in ├── HB375x10_4.021_NH-N__aniline--dimethyldiazene_monB.in ├── HB375x10_4.022_NH-N__aniline--methylamine_100.in ├── HB375x10_4.022_NH-N__aniline--methylamine_monA.in ├── HB375x10_4.022_NH-N__aniline--methylamine_monB.in ├── HB375x10_4.023_NH-N__aniline--methylcyanate_100.in ├── HB375x10_4.023_NH-N__aniline--methylcyanate_monA.in ├── HB375x10_4.023_NH-N__aniline--methylcyanate_monB.in ├── HB375x10_4.024_NH-N__aniline--Nmethyl2propanimine_100.in ├── HB375x10_4.024_NH-N__aniline--Nmethyl2propanimine_monA.in ├── HB375x10_4.024_NH-N__aniline--Nmethyl2propanimine_monB.in ├── HB375x10_4.025_NH-N__aniline--pyridine_100.in ├── HB375x10_4.025_NH-N__aniline--pyridine_monA.in ├── HB375x10_4.025_NH-N__aniline--pyridine_monB.in ├── HB375x10_4.026_NH-N__aniline--trimethylamine_100.in ├── HB375x10_4.026_NH-N__aniline--trimethylamine_monA.in ├── HB375x10_4.026_NH-N__aniline--trimethylamine_monB.in ├── HB375x10_4.027_NH-N__dimethylamine--acetonitrile_100.in ├── HB375x10_4.027_NH-N__dimethylamine--acetonitrile_monA.in ├── HB375x10_4.027_NH-N__dimethylamine--acetonitrile_monB.in ├── HB375x10_4.028_NH-N__dimethylamine--ammonia_100.in ├── HB375x10_4.028_NH-N__dimethylamine--ammonia_monA.in ├── HB375x10_4.028_NH-N__dimethylamine--ammonia_monB.in ├── HB375x10_4.029_NH-N__dimethylamine--aniline_100.in ├── HB375x10_4.029_NH-N__dimethylamine--aniline_monA.in ├── HB375x10_4.029_NH-N__dimethylamine--aniline_monB.in ├── HB375x10_4.030_NH-N__dimethylamine--dimethylamine_100.in ├── HB375x10_4.030_NH-N__dimethylamine--dimethylamine_monA.in ├── HB375x10_4.030_NH-N__dimethylamine--dimethylamine_monB.in ├── HB375x10_4.031_NH-N__dimethylamine--dimethyldiazene_100.in ├── HB375x10_4.031_NH-N__dimethylamine--dimethyldiazene_monA.in ├── HB375x10_4.031_NH-N__dimethylamine--dimethyldiazene_monB.in ├── HB375x10_4.032_NH-N__dimethylamine--methylazide_100.in ├── HB375x10_4.032_NH-N__dimethylamine--methylazide_monA.in ├── HB375x10_4.032_NH-N__dimethylamine--methylazide_monB.in ├── HB375x10_4.033_NH-N__dimethylamine--Nmethyl2propanimine_100.in ├── HB375x10_4.033_NH-N__dimethylamine--Nmethyl2propanimine_monA.in ├── HB375x10_4.033_NH-N__dimethylamine--Nmethyl2propanimine_monB.in ├── HB375x10_4.034_NH-N__dimethylamine--pyridine_100.in ├── HB375x10_4.034_NH-N__dimethylamine--pyridine_monA.in ├── HB375x10_4.034_NH-N__dimethylamine--pyridine_monB.in ├── HB375x10_4.035_NH-N__dimethylamine--trimethylamine_100.in ├── HB375x10_4.035_NH-N__dimethylamine--trimethylamine_monA.in ├── HB375x10_4.035_NH-N__dimethylamine--trimethylamine_monB.in ├── HB375x10_4.036_NH-N__methylamine--acetonitrile_100.in ├── HB375x10_4.036_NH-N__methylamine--acetonitrile_monA.in ├── HB375x10_4.036_NH-N__methylamine--acetonitrile_monB.in ├── HB375x10_4.037_NH-N__methylamine--ammonia_100.in ├── HB375x10_4.037_NH-N__methylamine--ammonia_monA.in ├── HB375x10_4.037_NH-N__methylamine--ammonia_monB.in ├── HB375x10_4.038_NH-N__methylamine--dimethylamine_100.in ├── HB375x10_4.038_NH-N__methylamine--dimethylamine_monA.in ├── HB375x10_4.038_NH-N__methylamine--dimethylamine_monB.in ├── HB375x10_4.039_NH-N__methylamine--dimethyldiazene_100.in ├── HB375x10_4.039_NH-N__methylamine--dimethyldiazene_monA.in ├── HB375x10_4.039_NH-N__methylamine--dimethyldiazene_monB.in ├── HB375x10_4.040_NH-N__methylamine--methylamine_100.in ├── HB375x10_4.040_NH-N__methylamine--methylamine_monA.in ├── HB375x10_4.040_NH-N__methylamine--methylamine_monB.in ├── HB375x10_4.041_NH-N__methylamine--Nmethyl2propanimine_100.in ├── HB375x10_4.041_NH-N__methylamine--Nmethyl2propanimine_monA.in ├── HB375x10_4.041_NH-N__methylamine--Nmethyl2propanimine_monB.in ├── HB375x10_4.042_NH-N__methylamine--pyridine_100.in ├── HB375x10_4.042_NH-N__methylamine--pyridine_monA.in ├── HB375x10_4.042_NH-N__methylamine--pyridine_monB.in ├── HB375x10_4.043_NH-N__methylamine--trimethylamine_100.in ├── HB375x10_4.043_NH-N__methylamine--trimethylamine_monA.in ├── HB375x10_4.043_NH-N__methylamine--trimethylamine_monB.in ├── HB375x10_4.044_NH-N__Nmethylacetamide--acetonitrile_100.in ├── HB375x10_4.044_NH-N__Nmethylacetamide--acetonitrile_monA.in ├── HB375x10_4.044_NH-N__Nmethylacetamide--acetonitrile_monB.in ├── HB375x10_4.045_NH-N__Nmethylacetamide--ammonia_100.in ├── HB375x10_4.045_NH-N__Nmethylacetamide--ammonia_monA.in ├── HB375x10_4.045_NH-N__Nmethylacetamide--ammonia_monB.in ├── HB375x10_4.046_NH-N__Nmethylacetamide--aniline_100.in ├── HB375x10_4.046_NH-N__Nmethylacetamide--aniline_monA.in ├── HB375x10_4.046_NH-N__Nmethylacetamide--aniline_monB.in ├── HB375x10_4.047_NH-N__Nmethylacetamide--dimethylamine_100.in ├── HB375x10_4.047_NH-N__Nmethylacetamide--dimethylamine_monA.in ├── HB375x10_4.047_NH-N__Nmethylacetamide--dimethylamine_monB.in ├── HB375x10_4.048_NH-N__Nmethylacetamide--dimethyldiazene_100.in ├── HB375x10_4.048_NH-N__Nmethylacetamide--dimethyldiazene_monA.in ├── HB375x10_4.048_NH-N__Nmethylacetamide--dimethyldiazene_monB.in ├── HB375x10_4.049_NH-N__Nmethylacetamide--methylamine_100.in ├── HB375x10_4.049_NH-N__Nmethylacetamide--methylamine_monA.in ├── HB375x10_4.049_NH-N__Nmethylacetamide--methylamine_monB.in ├── HB375x10_4.050_NH-N__Nmethylacetamide--methylazide_100.in ├── HB375x10_4.050_NH-N__Nmethylacetamide--methylazide_monA.in ├── HB375x10_4.050_NH-N__Nmethylacetamide--methylazide_monB.in ├── HB375x10_4.051_NH-N__Nmethylacetamide--Nmethyl2propanimine_100.in ├── HB375x10_4.051_NH-N__Nmethylacetamide--Nmethyl2propanimine_monA.in ├── HB375x10_4.051_NH-N__Nmethylacetamide--Nmethyl2propanimine_monB.in ├── HB375x10_4.052_NH-N__Nmethylacetamide--pyridine_100.in ├── HB375x10_4.052_NH-N__Nmethylacetamide--pyridine_monA.in ├── HB375x10_4.052_NH-N__Nmethylacetamide--pyridine_monB.in ├── HB375x10_4.053_NH-N__Nmethylacetamide--trimethylamine_100.in ├── HB375x10_4.053_NH-N__Nmethylacetamide--trimethylamine_monA.in ├── HB375x10_4.053_NH-N__Nmethylacetamide--trimethylamine_monB.in ├── HB375x10_5.001_CH-O__ethyne--acetaldehyde_100.in ├── HB375x10_5.001_CH-O__ethyne--acetaldehyde_monA.in ├── HB375x10_5.001_CH-O__ethyne--acetaldehyde_monB.in ├── HB375x10_5.002_CH-O__ethyne--acetamide_100.in ├── HB375x10_5.002_CH-O__ethyne--acetamide_monA.in ├── HB375x10_5.002_CH-O__ethyne--acetamide_monB.in ├── HB375x10_5.003_CH-O__ethyne--aceticacid_100.in ├── HB375x10_5.003_CH-O__ethyne--aceticacid_monA.in ├── HB375x10_5.003_CH-O__ethyne--aceticacid_monB.in ├── HB375x10_5.004_CH-O__ethyne--acetone_100.in ├── HB375x10_5.004_CH-O__ethyne--acetone_monA.in ├── HB375x10_5.004_CH-O__ethyne--acetone_monB.in ├── HB375x10_5.005_CH-O__ethyne--dimethylcarbonate_100.in ├── HB375x10_5.005_CH-O__ethyne--dimethylcarbonate_monA.in ├── HB375x10_5.005_CH-O__ethyne--dimethylcarbonate_monB.in ├── HB375x10_5.006_CH-O__ethyne--dimethylether_100.in ├── HB375x10_5.006_CH-O__ethyne--dimethylether_monA.in ├── HB375x10_5.006_CH-O__ethyne--dimethylether_monB.in ├── HB375x10_5.007_CH-O__ethyne--dimethylperoxide_100.in ├── HB375x10_5.007_CH-O__ethyne--dimethylperoxide_monA.in ├── HB375x10_5.007_CH-O__ethyne--dimethylperoxide_monB.in ├── HB375x10_5.008_CH-O__ethyne--methanol_100.in ├── HB375x10_5.008_CH-O__ethyne--methanol_monA.in ├── HB375x10_5.008_CH-O__ethyne--methanol_monB.in ├── HB375x10_5.009_CH-O__ethyne--methylacetate_100.in ├── HB375x10_5.009_CH-O__ethyne--methylacetate_monA.in ├── HB375x10_5.009_CH-O__ethyne--methylacetate_monB.in ├── HB375x10_5.010_CH-O__ethyne--nitromethane_100.in ├── HB375x10_5.010_CH-O__ethyne--nitromethane_monA.in ├── HB375x10_5.010_CH-O__ethyne--nitromethane_monB.in ├── HB375x10_5.011_CH-O__ethyne--nitrosomethane_100.in ├── HB375x10_5.011_CH-O__ethyne--nitrosomethane_monA.in ├── HB375x10_5.011_CH-O__ethyne--nitrosomethane_monB.in ├── HB375x10_5.012_CH-O__ethyne--Nmethylacetamide_100.in ├── HB375x10_5.012_CH-O__ethyne--Nmethylacetamide_monA.in ├── HB375x10_5.012_CH-O__ethyne--Nmethylacetamide_monB.in ├── HB375x10_5.013_CH-O__ethyne--phenol_100.in ├── HB375x10_5.013_CH-O__ethyne--phenol_monA.in ├── HB375x10_5.013_CH-O__ethyne--phenol_monB.in ├── HB375x10_5.014_CH-O__ethyne--water_100.in ├── HB375x10_5.014_CH-O__ethyne--water_monA.in ├── HB375x10_5.014_CH-O__ethyne--water_monB.in ├── HB375x10_5.015_CH-O__methylacetate--Nmethylacetamide_100.in ├── HB375x10_5.015_CH-O__methylacetate--Nmethylacetamide_monA.in ├── HB375x10_5.015_CH-O__methylacetate--Nmethylacetamide_monB.in ├── HB375x10_5.016_CH-O__methylcyanate--Nmethylacetamide_100.in ├── HB375x10_5.016_CH-O__methylcyanate--Nmethylacetamide_monA.in ├── HB375x10_5.016_CH-O__methylcyanate--Nmethylacetamide_monB.in ├── HB375x10_5.017_CH-O__methylisocyanide--Nmethylacetamide_100.in ├── HB375x10_5.017_CH-O__methylisocyanide--Nmethylacetamide_monA.in ├── HB375x10_5.017_CH-O__methylisocyanide--Nmethylacetamide_monB.in ├── HB375x10_5.018_CH-O__nitromethane--Nmethylacetamide_100.in ├── HB375x10_5.018_CH-O__nitromethane--Nmethylacetamide_monA.in ├── HB375x10_5.018_CH-O__nitromethane--Nmethylacetamide_monB.in ├── HB375x10_5.019_CH-O__nitrosomethane--Nmethylacetamide_100.in ├── HB375x10_5.019_CH-O__nitrosomethane--Nmethylacetamide_monA.in ├── HB375x10_5.019_CH-O__nitrosomethane--Nmethylacetamide_monB.in ├── HB375x10_6.001_CH-N__ethyne--acetonitrile_100.in ├── HB375x10_6.001_CH-N__ethyne--acetonitrile_monA.in ├── HB375x10_6.001_CH-N__ethyne--acetonitrile_monB.in ├── HB375x10_6.002_CH-N__ethyne--ammonia_100.in ├── HB375x10_6.002_CH-N__ethyne--ammonia_monA.in ├── HB375x10_6.002_CH-N__ethyne--ammonia_monB.in ├── HB375x10_6.003_CH-N__ethyne--aniline_100.in ├── HB375x10_6.003_CH-N__ethyne--aniline_monA.in ├── HB375x10_6.003_CH-N__ethyne--aniline_monB.in ├── HB375x10_6.004_CH-N__ethyne--dimethylamine_100.in ├── HB375x10_6.004_CH-N__ethyne--dimethylamine_monA.in ├── HB375x10_6.004_CH-N__ethyne--dimethylamine_monB.in ├── HB375x10_6.005_CH-N__ethyne--dimethyldiazene_100.in ├── HB375x10_6.005_CH-N__ethyne--dimethyldiazene_monA.in ├── HB375x10_6.005_CH-N__ethyne--dimethyldiazene_monB.in ├── HB375x10_6.006_CH-N__ethyne--methylamine_100.in ├── HB375x10_6.006_CH-N__ethyne--methylamine_monA.in ├── HB375x10_6.006_CH-N__ethyne--methylamine_monB.in ├── HB375x10_6.007_CH-N__ethyne--methylazide_100.in ├── HB375x10_6.007_CH-N__ethyne--methylazide_monA.in ├── HB375x10_6.007_CH-N__ethyne--methylazide_monB.in ├── HB375x10_6.008_CH-N__ethyne--Nmethyl2propanimine_100.in ├── HB375x10_6.008_CH-N__ethyne--Nmethyl2propanimine_monA.in ├── HB375x10_6.008_CH-N__ethyne--Nmethyl2propanimine_monB.in ├── HB375x10_6.009_CH-N__ethyne--pyridine_100.in ├── HB375x10_6.009_CH-N__ethyne--pyridine_monA.in ├── HB375x10_6.009_CH-N__ethyne--pyridine_monB.in ├── HB375x10_6.010_CH-N__ethyne--trimethylamine_100.in ├── HB375x10_6.010_CH-N__ethyne--trimethylamine_monA.in ├── HB375x10_6.010_CH-N__ethyne--trimethylamine_monB.in ├── HB375x10_6.011_CH-N__furan--methylamine_100.in ├── HB375x10_6.011_CH-N__furan--methylamine_monA.in ├── HB375x10_6.011_CH-N__furan--methylamine_monB.in ├── HB375x10_6.012_CH-N__methylcyanate--ammonia_100.in ├── HB375x10_6.012_CH-N__methylcyanate--ammonia_monA.in ├── HB375x10_6.012_CH-N__methylcyanate--ammonia_monB.in ├── HB375x10_6.013_CH-N__methylcyanate--dimethylamine_100.in ├── HB375x10_6.013_CH-N__methylcyanate--dimethylamine_monA.in ├── HB375x10_6.013_CH-N__methylcyanate--dimethylamine_monB.in ├── HB375x10_6.014_CH-N__methylcyanate--methylamine_100.in ├── HB375x10_6.014_CH-N__methylcyanate--methylamine_monA.in ├── HB375x10_6.014_CH-N__methylcyanate--methylamine_monB.in ├── HB375x10_6.015_CH-N__methylisocyanide--dimethylamine_100.in ├── HB375x10_6.015_CH-N__methylisocyanide--dimethylamine_monA.in ├── HB375x10_6.015_CH-N__methylisocyanide--dimethylamine_monB.in ├── HB375x10_6.016_CH-N__methylisocyanide--methylamine_100.in ├── HB375x10_6.016_CH-N__methylisocyanide--methylamine_monA.in ├── HB375x10_6.016_CH-N__methylisocyanide--methylamine_monB.in ├── HB375x10_6.017_CH-N__nitromethane--dimethylamine_100.in ├── HB375x10_6.017_CH-N__nitromethane--dimethylamine_monA.in ├── HB375x10_6.017_CH-N__nitromethane--dimethylamine_monB.in ├── HB375x10_6.018_CH-N__nitromethane--methylamine_100.in ├── HB375x10_6.018_CH-N__nitromethane--methylamine_monA.in ├── HB375x10_6.018_CH-N__nitromethane--methylamine_monB.in ├── HB375x10_6.019_CH-N__nitrosomethane--dimethylamine_100.in ├── HB375x10_6.019_CH-N__nitrosomethane--dimethylamine_monA.in ├── HB375x10_6.019_CH-N__nitrosomethane--dimethylamine_monB.in ├── HB375x10_6.020_CH-N__nitrosomethane--methylamine_100.in ├── HB375x10_6.020_CH-N__nitrosomethane--methylamine_monA.in ├── HB375x10_6.020_CH-N__nitrosomethane--methylamine_monB.in ├── HCP32_10_FSeH-SHF_dim.in ├── HCP32_10_FSeH-SHF_monA.in ├── HCP32_10_FSeH-SHF_monB.in ├── HCP32_11_FSH-OHF_dim.in ├── HCP32_11_FSH-OHF_monA.in ├── HCP32_11_FSH-OHF_monB.in ├── HCP32_12_FSH-OH2_dim.in ├── HCP32_12_FSH-OH2_monA.in ├── HCP32_12_FSH-OH2_monB.in ├── HCP32_13_FSH-SH2_dim.in ├── HCP32_13_FSH-SH2_monA.in ├── HCP32_13_FSH-SH2_monB.in ├── HCP32_14_FSH-SF2_dim.in ├── HCP32_14_FSH-SF2_monA.in ├── HCP32_14_FSH-SF2_monB.in ├── HCP32_15_FPH2_2_dim.in ├── HCP32_15_FPH2_2_monA.in ├── HCP32_15_FPH2_2_monB.in ├── HCP32_16_FNH2_2_dim.in ├── HCP32_16_FNH2_2_monA.in ├── HCP32_16_FNH2_2_monB.in ├── HCP32_17_FH2As-PFH2_dim.in ├── HCP32_17_FH2As-PFH2_monA.in ├── HCP32_17_FH2As-PFH2_monB.in ├── HCP32_18_FH2P-NFH2_dim.in ├── HCP32_18_FH2P-NFH2_monA.in ├── HCP32_18_FH2P-NFH2_monB.in ├── HCP32_19_FH2P-PH3_dim.in ├── HCP32_19_FH2P-PH3_monA.in ├── HCP32_19_FH2P-PH3_monB.in ├── HCP32_1_Cl2_2_dim.in ├── HCP32_1_Cl2_2_monA.in ├── HCP32_1_Cl2_2_monB.in ├── HCP32_20_FH2P-NH3_dim.in ├── HCP32_20_FH2P-NH3_monA.in ├── HCP32_20_FH2P-NH3_monB.in ├── HCP32_21_FHS-PH2F_dim.in ├── HCP32_21_FHS-PH2F_monA.in ├── HCP32_21_FHS-PH2F_monB.in ├── HCP32_22_FHSe-PH2F_dim.in ├── HCP32_22_FHSe-PH2F_monA.in ├── HCP32_22_FHSe-PH2F_monB.in ├── HCP32_23_FHS-AsH2F_dim.in ├── HCP32_23_FHS-AsH2F_monA.in ├── HCP32_23_FHS-AsH2F_monB.in ├── HCP32_24_FH2P-SH2O_dim.in ├── HCP32_24_FH2P-SH2O_monA.in ├── HCP32_24_FH2P-SH2O_monB.in ├── HCP32_25_FH2P-SHF_dim.in ├── HCP32_25_FH2P-SHF_monA.in ├── HCP32_25_FH2P-SHF_monB.in ├── HCP32_26_FHS-PH2F_dim.in ├── HCP32_26_FHS-PH2F_monA.in ├── HCP32_26_FHS-PH2F_monB.in ├── HCP32_27_FHS-PF2H_dim.in ├── HCP32_27_FHS-PF2H_monA.in ├── HCP32_27_FHS-PF2H_monB.in ├── HCP32_28_FHS-PH3_dim.in ├── HCP32_28_FHS-PH3_monA.in ├── HCP32_28_FHS-PH3_monB.in ├── HCP32_29_FH2P-SH2_dim.in ├── HCP32_29_FH2P-SH2_monA.in ├── HCP32_29_FH2P-SH2_monB.in ├── HCP32_2_FCl_2_dim.in ├── HCP32_2_FCl_2_monA.in ├── HCP32_2_FCl_2_monB.in ├── HCP32_30_FH2P-SF2_dim.in ├── HCP32_30_FH2P-SF2_monA.in ├── HCP32_30_FH2P-SF2_monB.in ├── HCP32_31_FPH2-Cl2_dim.in ├── HCP32_31_FPH2-Cl2_monA.in ├── HCP32_31_FPH2-Cl2_monB.in ├── HCP32_32_Cl2-PH2F_dim.in ├── HCP32_32_Cl2-PH2F_monA.in ├── HCP32_32_Cl2-PH2F_monB.in ├── HCP32_3_FBr_2_dim.in ├── HCP32_3_FBr_2_monA.in ├── HCP32_3_FBr_2_monB.in ├── HCP32_4_Cl2_2_dim.in ├── HCP32_4_Cl2_2_monA.in ├── HCP32_4_Cl2_2_monB.in ├── HCP32_5_FCl_2_dim.in ├── HCP32_5_FCl_2_monA.in ├── HCP32_5_FCl_2_monB.in ├── HCP32_6_FBr_2_dim.in ├── HCP32_6_FBr_2_monA.in ├── HCP32_6_FBr_2_monB.in ├── HCP32_7_FHS_2_dim.in ├── HCP32_7_FHS_2_monA.in ├── HCP32_7_FHS_2_monB.in ├── HCP32_8_FHS_2_dim.in ├── HCP32_8_FHS_2_monA.in ├── HCP32_8_FHS_2_monB.in ├── HCP32_9_OSH2_2_dim.in ├── HCP32_9_OSH2_2_monA.in ├── HCP32_9_OSH2_2_monB.in ├── HEAVY28_bih3.in ├── HEAVY28_bih3_2.in ├── HEAVY28_bih3_h2o.in ├── HEAVY28_bih3_h2s.in ├── HEAVY28_bih3_hbr.in ├── HEAVY28_bih3_hcl.in ├── HEAVY28_bih3_hi.in ├── HEAVY28_bih3_nh3.in ├── HEAVY28_h2o.in ├── HEAVY28_h2s.in ├── HEAVY28_hbr.in ├── HEAVY28_hcl.in ├── HEAVY28_hi.in ├── HEAVY28_nh3.in ├── HEAVY28_pbh4.in ├── HEAVY28_pbh4_2.in ├── HEAVY28_pbh4_bih3.in ├── HEAVY28_pbh4_h2o.in ├── HEAVY28_pbh4_hbr.in ├── HEAVY28_pbh4_hcl.in ├── HEAVY28_pbh4_hi.in ├── HEAVY28_pbh4_teh2.in ├── HEAVY28_sbh3.in ├── HEAVY28_sbh3_2.in ├── HEAVY28_sbh3_h2o.in ├── HEAVY28_sbh3_h2s.in ├── HEAVY28_sbh3_hbr.in ├── HEAVY28_sbh3_hcl.in ├── HEAVY28_sbh3_hi.in ├── HEAVY28_sbh3_nh3.in ├── HEAVY28_teh2.in ├── HEAVY28_teh2_2.in ├── HEAVY28_teh2_h2o.in ├── HEAVY28_teh2_h2s.in ├── HEAVY28_teh2_hbr.in ├── HEAVY28_teh2_hcl.in ├── HEAVY28_teh2_hi.in ├── HEAVY28_teh2_nh3.in ├── HEAVYSB11_as2me4.in ├── HEAVYSB11_asme2.in ├── HEAVYSB11_br.in ├── HEAVYSB11_br2.in ├── HEAVYSB11_cl.in ├── HEAVYSB11_cl2.in ├── HEAVYSB11_ge2h6.in ├── HEAVYSB11_geh3.in ├── HEAVYSB11_h2s2.in ├── HEAVYSB11_h2se2.in ├── HEAVYSB11_p2me4.in ├── HEAVYSB11_pb2me6.in ├── HEAVYSB11_pbme3.in ├── HEAVYSB11_pme2.in ├── HEAVYSB11_sb2me4.in ├── HEAVYSB11_sbme2.in ├── HEAVYSB11_seh.in ├── HEAVYSB11_sh.in ├── HEAVYSB11_sn2me6.in ├── HEAVYSB11_snme3.in ├── HEAVYSB11_te2me2.in ├── HEAVYSB11_teme.in ├── HR46_1-3-butadiene.in ├── HR46_1-3-butadiene0+.in ├── HR46_1-3-butadiene0-.in ├── HR46_1-3-butadiene1+.in ├── HR46_1-3-butadiene1-.in ├── HR46_1-3-butadiene2+.in ├── HR46_1-3-butadiene2-.in ├── HR46_1-pentene.in ├── HR46_1-pentene0+.in ├── HR46_1-pentene0-.in ├── HR46_1-pentene1+.in ├── HR46_1-pentene1-.in ├── HR46_1-pentene2+.in ├── HR46_1-pentene2-.in ├── HR46_N-methylacetamide.in ├── HR46_N-methylacetamide0+.in ├── HR46_N-methylacetamide0-.in ├── HR46_N-methylacetamide1+.in ├── HR46_N-methylacetamide1-.in ├── HR46_N-methylacetamide2+.in ├── HR46_N-methylacetamide2-.in ├── HR46_acetaldehyde.in ├── HR46_acetaldehyde0+.in ├── HR46_acetaldehyde0-.in ├── HR46_acetaldehyde1+.in ├── HR46_acetaldehyde1-.in ├── HR46_acetaldehyde2+.in ├── HR46_acetaldehyde2-.in ├── HR46_acetic_acid.in ├── HR46_acetic_acid0+.in ├── HR46_acetic_acid0-.in ├── HR46_acetic_acid1+.in ├── HR46_acetic_acid1-.in ├── HR46_acetic_acid2+.in ├── HR46_acetic_acid2-.in ├── HR46_acetone.in ├── HR46_acetone0+.in ├── HR46_acetone0-.in ├── HR46_acetone1+.in ├── HR46_acetone1-.in ├── HR46_acetone2+.in ├── HR46_acetone2-.in ├── HR46_acetonitrile.in ├── HR46_acetonitrile0+.in ├── HR46_acetonitrile0-.in ├── HR46_acetonitrile1+.in ├── HR46_acetonitrile1-.in ├── HR46_acetonitrile2+.in ├── HR46_acetonitrile2-.in ├── HR46_ammonia.in ├── HR46_ammonia0+.in ├── HR46_ammonia0-.in ├── HR46_ammonia1+.in ├── HR46_ammonia1-.in ├── HR46_ammonia2+.in ├── HR46_ammonia2-.in ├── HR46_benzene.in ├── HR46_benzene0+.in ├── HR46_benzene0-.in ├── HR46_benzene1+.in ├── HR46_benzene1-.in ├── HR46_benzene2+.in ├── HR46_benzene2-.in ├── HR46_bromine.in ├── HR46_bromine0+.in ├── HR46_bromine0-.in ├── HR46_bromine1+.in ├── HR46_bromine1-.in ├── HR46_carbon_dioxide.in ├── HR46_carbon_dioxide0+.in ├── HR46_carbon_dioxide0-.in ├── HR46_carbon_dioxide1+.in ├── HR46_carbon_dioxide1-.in ├── HR46_carbon_monoxide.in ├── HR46_carbon_monoxide0+.in ├── HR46_carbon_monoxide0-.in ├── HR46_carbon_monoxide1+.in ├── HR46_carbon_monoxide1-.in ├── HR46_chlorine.in ├── HR46_chlorine0+.in ├── HR46_chlorine0-.in ├── HR46_chlorine1+.in ├── HR46_chlorine1-.in ├── HR46_chlorobenzene.in ├── HR46_chlorobenzene0+.in ├── HR46_chlorobenzene0-.in ├── HR46_chlorobenzene1+.in ├── HR46_chlorobenzene1-.in ├── HR46_chlorobenzene2+.in ├── HR46_chlorobenzene2-.in ├── HR46_cytosine.in ├── HR46_cytosine0+.in ├── HR46_cytosine0-.in ├── HR46_cytosine1+.in ├── HR46_cytosine1-.in ├── HR46_cytosine2+.in ├── HR46_cytosine2-.in ├── HR46_dimethyl_amine.in ├── HR46_dimethyl_amine0+.in ├── HR46_dimethyl_amine0-.in ├── HR46_dimethyl_amine1+.in ├── HR46_dimethyl_amine1-.in ├── HR46_dimethyl_amine2+.in ├── HR46_dimethyl_amine2-.in ├── HR46_dimethyl_ether.in ├── HR46_dimethyl_ether0+.in ├── HR46_dimethyl_ether0-.in ├── HR46_dimethyl_ether1+.in ├── HR46_dimethyl_ether1-.in ├── HR46_dimethyl_ether2+.in ├── HR46_dimethyl_ether2-.in ├── HR46_dimethyl_sulfide.in ├── HR46_dimethyl_sulfide0+.in ├── HR46_dimethyl_sulfide0-.in ├── HR46_dimethyl_sulfide1+.in ├── HR46_dimethyl_sulfide1-.in ├── HR46_dimethyl_sulfide2+.in ├── HR46_dimethyl_sulfide2-.in ├── HR46_dimethyl_sulfone.in ├── HR46_dimethyl_sulfone0+.in ├── HR46_dimethyl_sulfone0-.in ├── HR46_dimethyl_sulfone1+.in ├── HR46_dimethyl_sulfone1-.in ├── HR46_dimethyl_sulfone2+.in ├── HR46_dimethyl_sulfone2-.in ├── HR46_ethanol.in ├── HR46_ethanol0+.in ├── HR46_ethanol0-.in ├── HR46_ethanol1+.in ├── HR46_ethanol1-.in ├── HR46_ethanol2+.in ├── HR46_ethanol2-.in ├── HR46_ethene.in ├── HR46_ethene0+.in ├── HR46_ethene0-.in ├── HR46_ethene1+.in ├── HR46_ethene1-.in ├── HR46_ethene2+.in ├── HR46_ethene2-.in ├── HR46_fluorobenzene.in ├── HR46_fluorobenzene0+.in ├── HR46_fluorobenzene0-.in ├── HR46_fluorobenzene1+.in ├── HR46_fluorobenzene1-.in ├── HR46_fluorobenzene2+.in ├── HR46_fluorobenzene2-.in ├── HR46_fluoromethane.in ├── HR46_fluoromethane0+.in ├── HR46_fluoromethane0-.in ├── HR46_fluoromethane1+.in ├── HR46_fluoromethane1-.in ├── HR46_furan.in ├── HR46_furan0+.in ├── HR46_furan0-.in ├── HR46_furan1+.in ├── HR46_furan1-.in ├── HR46_furan2+.in ├── HR46_furan2-.in ├── HR46_hydrogen_sulfide.in ├── HR46_hydrogen_sulfide0+.in ├── HR46_hydrogen_sulfide0-.in ├── HR46_hydrogen_sulfide1+.in ├── HR46_hydrogen_sulfide1-.in ├── HR46_hydrogen_sulfide2+.in ├── HR46_hydrogen_sulfide2-.in ├── HR46_imidazole.in ├── HR46_imidazole0+.in ├── HR46_imidazole0-.in ├── HR46_imidazole1+.in ├── HR46_imidazole1-.in ├── HR46_imidazole2+.in ├── HR46_imidazole2-.in ├── HR46_isobutene.in ├── HR46_isobutene0+.in ├── HR46_isobutene0-.in ├── HR46_isobutene1+.in ├── HR46_isobutene1-.in ├── HR46_isobutene2+.in ├── HR46_isobutene2-.in ├── HR46_methanol.in ├── HR46_methanol0+.in ├── HR46_methanol0-.in ├── HR46_methanol1+.in ├── HR46_methanol1-.in ├── HR46_methanol2+.in ├── HR46_methanol2-.in ├── HR46_methylacetate.in ├── HR46_methylacetate0+.in ├── HR46_methylacetate0-.in ├── HR46_methylacetate1+.in ├── HR46_methylacetate1-.in ├── HR46_methylacetate2+.in ├── HR46_methylacetate2-.in ├── HR46_methylformate.in ├── HR46_methylformate0+.in ├── HR46_methylformate0-.in ├── HR46_methylformate1+.in ├── HR46_methylformate1-.in ├── HR46_methylformate2+.in ├── HR46_methylformate2-.in ├── HR46_nitrogen.in ├── HR46_nitrogen0+.in ├── HR46_nitrogen0-.in ├── HR46_nitrogen1+.in ├── HR46_nitrogen1-.in ├── HR46_nitrogen_monoxide.in ├── HR46_nitrogen_monoxide0+.in ├── HR46_nitrogen_monoxide0-.in ├── HR46_nitrogen_monoxide2+.in ├── HR46_nitrogen_monoxide2-.in ├── HR46_oxygen.in ├── HR46_oxygen0+.in ├── HR46_oxygen0-.in ├── HR46_oxygen1+.in ├── HR46_oxygen1-.in ├── HR46_phenol.in ├── HR46_phenol0+.in ├── HR46_phenol0-.in ├── HR46_phenol1+.in ├── HR46_phenol1-.in ├── HR46_phenol2+.in ├── HR46_phenol2-.in ├── HR46_phosphine.in ├── HR46_phosphine0+.in ├── HR46_phosphine0-.in ├── HR46_phosphine1+.in ├── HR46_phosphine1-.in ├── HR46_phosphine2+.in ├── HR46_phosphine2-.in ├── HR46_propane.in ├── HR46_propane0+.in ├── HR46_propane0-.in ├── HR46_propane1+.in ├── HR46_propane1-.in ├── HR46_propane2+.in ├── HR46_propane2-.in ├── HR46_pyrazole.in ├── HR46_pyrazole0+.in ├── HR46_pyrazole0-.in ├── HR46_pyrazole1+.in ├── HR46_pyrazole1-.in ├── HR46_pyrazole2+.in ├── HR46_pyrazole2-.in ├── HR46_pyridine.in ├── HR46_pyridine0+.in ├── HR46_pyridine0-.in ├── HR46_pyridine1+.in ├── HR46_pyridine1-.in ├── HR46_pyridine2+.in ├── HR46_pyridine2-.in ├── HR46_pyrrole.in ├── HR46_pyrrole0+.in ├── HR46_pyrrole0-.in ├── HR46_pyrrole1+.in ├── HR46_pyrrole1-.in ├── HR46_pyrrole2+.in ├── HR46_pyrrole2-.in ├── HR46_silane.in ├── HR46_silane0+.in ├── HR46_silane0-.in ├── HR46_silane1+.in ├── HR46_silane1-.in ├── HR46_sulfur_dioxide.in ├── HR46_sulfur_dioxide0+.in ├── HR46_sulfur_dioxide0-.in ├── HR46_sulfur_dioxide1+.in ├── HR46_sulfur_dioxide1-.in ├── HR46_sulfur_dioxide2+.in ├── HR46_sulfur_dioxide2-.in ├── HR46_sulfur_monoxide.in ├── HR46_sulfur_monoxide0+.in ├── HR46_sulfur_monoxide0-.in ├── HR46_sulfur_monoxide1+.in ├── HR46_sulfur_monoxide1-.in ├── HR46_thiophene.in ├── HR46_thiophene0+.in ├── HR46_thiophene0-.in ├── HR46_thiophene1+.in ├── HR46_thiophene1-.in ├── HR46_thiophene2+.in ├── HR46_thiophene2-.in ├── HR46_toluene.in ├── HR46_toluene0+.in ├── HR46_toluene0-.in ├── HR46_toluene1+.in ├── HR46_toluene1-.in ├── HR46_toluene2+.in ├── HR46_toluene2-.in ├── HR46_trimethyl_amine.in ├── HR46_trimethyl_amine0+.in ├── HR46_trimethyl_amine0-.in ├── HR46_trimethyl_amine1+.in ├── HR46_trimethyl_amine1-.in ├── HR46_trimethyl_amine2+.in ├── HR46_trimethyl_amine2-.in ├── HR46_water.in ├── HR46_water0+.in ├── HR46_water0-.in ├── HR46_water1+.in ├── HR46_water1-.in ├── HR46_water2+.in ├── HR46_water2-.in ├── He3_1.in ├── He3_10.in ├── He3_10_dim12.in ├── He3_10_dim23.in ├── He3_10_dim31.in ├── He3_11.in ├── He3_11_dim12.in ├── He3_11_dim23.in ├── He3_11_dim31.in ├── He3_12.in ├── He3_12_dim12.in ├── He3_12_dim23.in ├── He3_12_dim31.in ├── He3_13.in ├── He3_13_dim12.in ├── He3_13_dim23.in ├── He3_13_dim31.in ├── He3_14.in ├── He3_14_dim12.in ├── He3_14_dim23.in ├── He3_14_dim31.in ├── He3_15.in ├── He3_15_dim12.in ├── He3_15_dim23.in ├── He3_15_dim31.in ├── He3_16.in ├── He3_16_dim12.in ├── He3_16_dim23.in ├── He3_16_dim31.in ├── He3_17.in ├── He3_17_dim12.in ├── He3_17_dim23.in ├── He3_17_dim31.in ├── He3_18.in ├── He3_18_dim12.in ├── He3_18_dim23.in ├── He3_18_dim31.in ├── He3_19.in ├── He3_19_dim12.in ├── He3_19_dim23.in ├── He3_19_dim31.in ├── He3_1_dim12.in ├── He3_1_dim23.in ├── He3_1_dim31.in ├── He3_2.in ├── He3_20.in ├── He3_20_dim12.in ├── He3_20_dim23.in ├── He3_20_dim31.in ├── He3_21.in ├── He3_21_dim12.in ├── He3_21_dim23.in ├── He3_21_dim31.in ├── He3_22.in ├── He3_22_dim12.in ├── He3_22_dim23.in ├── He3_22_dim31.in ├── He3_23.in ├── He3_23_dim12.in ├── He3_23_dim23.in ├── He3_23_dim31.in ├── He3_24.in ├── He3_24_dim12.in ├── He3_24_dim23.in ├── He3_24_dim31.in ├── He3_25.in ├── He3_25_dim12.in ├── He3_25_dim23.in ├── He3_25_dim31.in ├── He3_26.in ├── He3_26_dim12.in ├── He3_26_dim23.in ├── He3_26_dim31.in ├── He3_27.in ├── He3_27_dim12.in ├── He3_27_dim23.in ├── He3_27_dim31.in ├── He3_28.in ├── He3_28_dim12.in ├── He3_28_dim23.in ├── He3_28_dim31.in ├── He3_29.in ├── He3_29_dim12.in ├── He3_29_dim23.in ├── He3_29_dim31.in ├── He3_2_dim12.in ├── He3_2_dim23.in ├── He3_2_dim31.in ├── He3_3.in ├── He3_30.in ├── He3_30_dim12.in ├── He3_30_dim23.in ├── He3_30_dim31.in ├── He3_31.in ├── He3_31_dim12.in ├── He3_31_dim23.in ├── He3_31_dim31.in ├── He3_32.in ├── He3_32_dim12.in ├── He3_32_dim23.in ├── He3_32_dim31.in ├── He3_33.in ├── He3_33_dim12.in ├── He3_33_dim23.in ├── He3_33_dim31.in ├── He3_34.in ├── He3_34_dim12.in ├── He3_34_dim23.in ├── He3_34_dim31.in ├── He3_35.in ├── He3_35_dim12.in ├── He3_35_dim23.in ├── He3_35_dim31.in ├── He3_36.in ├── He3_36_dim12.in ├── He3_36_dim23.in ├── He3_36_dim31.in ├── He3_37.in ├── He3_37_dim12.in ├── He3_37_dim23.in ├── He3_37_dim31.in ├── He3_38.in ├── He3_38_dim12.in ├── He3_38_dim23.in ├── He3_38_dim31.in ├── He3_39.in ├── He3_39_dim12.in ├── He3_39_dim23.in ├── He3_39_dim31.in ├── He3_3_dim12.in ├── He3_3_dim23.in ├── He3_3_dim31.in ├── He3_4.in ├── He3_40.in ├── He3_40_dim12.in ├── He3_40_dim23.in ├── He3_40_dim31.in ├── He3_41.in ├── He3_41_dim12.in ├── He3_41_dim23.in ├── He3_41_dim31.in ├── He3_42.in ├── He3_42_dim12.in ├── He3_42_dim23.in ├── He3_42_dim31.in ├── He3_43.in ├── He3_43_dim12.in ├── He3_43_dim23.in ├── He3_43_dim31.in ├── He3_44.in ├── He3_44_dim12.in ├── He3_44_dim23.in ├── He3_44_dim31.in ├── He3_45.in ├── He3_45_dim12.in ├── He3_45_dim23.in ├── He3_45_dim31.in ├── He3_46.in ├── He3_46_dim12.in ├── He3_46_dim23.in ├── He3_46_dim31.in ├── He3_47.in ├── He3_47_dim12.in ├── He3_47_dim23.in ├── He3_47_dim31.in ├── He3_48.in ├── He3_48_dim12.in ├── He3_48_dim23.in ├── He3_48_dim31.in ├── He3_49.in ├── He3_49_dim12.in ├── He3_49_dim23.in ├── He3_49_dim31.in ├── He3_4_dim12.in ├── He3_4_dim23.in ├── He3_4_dim31.in ├── He3_5.in ├── He3_5_dim12.in ├── He3_5_dim23.in ├── He3_5_dim31.in ├── He3_6.in ├── He3_6_dim12.in ├── He3_6_dim23.in ├── He3_6_dim31.in ├── He3_7.in ├── He3_7_dim12.in ├── He3_7_dim23.in ├── He3_7_dim31.in ├── He3_8.in ├── He3_8_dim12.in ├── He3_8_dim23.in ├── He3_8_dim31.in ├── He3_9.in ├── He3_9_dim12.in ├── He3_9_dim23.in ├── He3_9_dim31.in ├── He3_He.in ├── ICONF_H2S2O7_1.in ├── ICONF_H2S2O7_2.in ├── ICONF_H2S2O7_3.in ├── ICONF_H4P2O7_1.in ├── ICONF_H4P2O7_2.in ├── ICONF_H4P2O7_3.in ├── ICONF_H4P2O7_4.in ├── ICONF_N3H5_1.in ├── ICONF_N3H5_2.in ├── ICONF_N3H5_3.in ├── ICONF_N3P3H12_1.in ├── ICONF_N3P3H12_2.in ├── ICONF_N4H6_1.in ├── ICONF_N4H6_2.in ├── ICONF_N4H6_3.in ├── ICONF_P7H7_1.in ├── ICONF_P7H7_2.in ├── ICONF_S4O4_1.in ├── ICONF_S4O4_2.in ├── ICONF_S8_1.in ├── ICONF_S8_2.in ├── ICONF_SI5H12_1.in ├── ICONF_SI5H12_2.in ├── ICONF_SI5H12_3.in ├── ICONF_SI5H12_4.in ├── ICONF_SI6H12_1.in ├── ICONF_SI6H12_2.in ├── IDISP_F14f.in ├── IDISP_F14l.in ├── IDISP_F22f.in ├── IDISP_F22l.in ├── IDISP_ant.in ├── IDISP_antdimer.in ├── IDISP_h2.in ├── IDISP_octane1.in ├── IDISP_octane2.in ├── IDISP_pc22.in ├── IDISP_pxylene.in ├── IDISP_undecan1.in ├── IDISP_undecan2.in ├── IHB100x10_01.001_OHk-O__oxonium--methylcyanate_080.in ├── IHB100x10_01.001_OHk-O__oxonium--methylcyanate_100.in ├── IHB100x10_01.001_OHk-O__oxonium--methylcyanate_150.in ├── IHB100x10_01.001_OHk-O__oxonium--methylcyanate_monA.in ├── IHB100x10_01.001_OHk-O__oxonium--methylcyanate_monB.in ├── IHB100x10_02.001_NHk-O__ammonium--acetaldehyde_080.in ├── IHB100x10_02.001_NHk-O__ammonium--acetaldehyde_100.in ├── IHB100x10_02.001_NHk-O__ammonium--acetaldehyde_150.in ├── IHB100x10_02.001_NHk-O__ammonium--acetaldehyde_monA.in ├── IHB100x10_02.001_NHk-O__ammonium--acetaldehyde_monB.in ├── IHB100x10_02.002_NHk-O__ammonium--dimethylcarbonate_080.in ├── IHB100x10_02.002_NHk-O__ammonium--dimethylcarbonate_100.in ├── IHB100x10_02.002_NHk-O__ammonium--dimethylcarbonate_150.in ├── IHB100x10_02.002_NHk-O__ammonium--dimethylcarbonate_monA.in ├── IHB100x10_02.002_NHk-O__ammonium--dimethylcarbonate_monB.in ├── IHB100x10_02.003_NHk-O__ammonium--dimethylether_080.in ├── IHB100x10_02.003_NHk-O__ammonium--dimethylether_100.in ├── IHB100x10_02.003_NHk-O__ammonium--dimethylether_150.in ├── IHB100x10_02.003_NHk-O__ammonium--dimethylether_monA.in ├── IHB100x10_02.003_NHk-O__ammonium--dimethylether_monB.in ├── IHB100x10_02.004_NHk-O__ammonium--nitromethane_080.in ├── IHB100x10_02.004_NHk-O__ammonium--nitromethane_100.in ├── IHB100x10_02.004_NHk-O__ammonium--nitromethane_150.in ├── IHB100x10_02.004_NHk-O__ammonium--nitromethane_monA.in ├── IHB100x10_02.004_NHk-O__ammonium--nitromethane_monB.in ├── IHB100x10_02.005_NHk-O__guanidinium--nitrosomethane_080.in ├── IHB100x10_02.005_NHk-O__guanidinium--nitrosomethane_100.in ├── IHB100x10_02.005_NHk-O__guanidinium--nitrosomethane_150.in ├── IHB100x10_02.005_NHk-O__guanidinium--nitrosomethane_monA.in ├── IHB100x10_02.005_NHk-O__guanidinium--nitrosomethane_monB.in ├── IHB100x10_02.006_NHk-O__imidazolium--acetone_080.in ├── IHB100x10_02.006_NHk-O__imidazolium--acetone_100.in ├── IHB100x10_02.006_NHk-O__imidazolium--acetone_150.in ├── IHB100x10_02.006_NHk-O__imidazolium--acetone_monA.in ├── IHB100x10_02.006_NHk-O__imidazolium--acetone_monB.in ├── IHB100x10_02.007_NHk-O__imidazolium--Nmethylacetamide_080.in ├── IHB100x10_02.007_NHk-O__imidazolium--Nmethylacetamide_100.in ├── IHB100x10_02.007_NHk-O__imidazolium--Nmethylacetamide_150.in ├── IHB100x10_02.007_NHk-O__imidazolium--Nmethylacetamide_monA.in ├── IHB100x10_02.007_NHk-O__imidazolium--Nmethylacetamide_monB.in ├── IHB100x10_02.008_NHk-O__imidazolium--phenol_080.in ├── IHB100x10_02.008_NHk-O__imidazolium--phenol_100.in ├── IHB100x10_02.008_NHk-O__imidazolium--phenol_150.in ├── IHB100x10_02.008_NHk-O__imidazolium--phenol_monA.in ├── IHB100x10_02.008_NHk-O__imidazolium--phenol_monB.in ├── IHB100x10_02.009_NHk-O__trimethylammonium--acetaldehyde_080.in ├── IHB100x10_02.009_NHk-O__trimethylammonium--acetaldehyde_100.in ├── IHB100x10_02.009_NHk-O__trimethylammonium--acetaldehyde_150.in ├── IHB100x10_02.009_NHk-O__trimethylammonium--acetaldehyde_monA.in ├── IHB100x10_02.009_NHk-O__trimethylammonium--acetaldehyde_monB.in ├── IHB100x10_02.010_NHk-O__trimethylammonium--acetamide_080.in ├── IHB100x10_02.010_NHk-O__trimethylammonium--acetamide_100.in ├── IHB100x10_02.010_NHk-O__trimethylammonium--acetamide_150.in ├── IHB100x10_02.010_NHk-O__trimethylammonium--acetamide_monA.in ├── IHB100x10_02.010_NHk-O__trimethylammonium--acetamide_monB.in ├── IHB100x10_02.011_NHk-O__trimethylammonium--aceticacid_080.in ├── IHB100x10_02.011_NHk-O__trimethylammonium--aceticacid_100.in ├── IHB100x10_02.011_NHk-O__trimethylammonium--aceticacid_150.in ├── IHB100x10_02.011_NHk-O__trimethylammonium--aceticacid_monA.in ├── IHB100x10_02.011_NHk-O__trimethylammonium--aceticacid_monB.in ├── IHB100x10_02.012_NHk-O__trimethylammonium--nitrosomethane_080.in ├── IHB100x10_02.012_NHk-O__trimethylammonium--nitrosomethane_100.in ├── IHB100x10_02.012_NHk-O__trimethylammonium--nitrosomethane_150.in ├── IHB100x10_02.012_NHk-O__trimethylammonium--nitrosomethane_monA.in ├── IHB100x10_02.012_NHk-O__trimethylammonium--nitrosomethane_monB.in ├── IHB100x10_02.013_NHk-O__guanidinium--acetamide_080.in ├── IHB100x10_02.013_NHk-O__guanidinium--acetamide_100.in ├── IHB100x10_02.013_NHk-O__guanidinium--acetamide_150.in ├── IHB100x10_02.013_NHk-O__guanidinium--acetamide_monA.in ├── IHB100x10_02.013_NHk-O__guanidinium--acetamide_monB.in ├── IHB100x10_02.014_NHk-O__guanidinium--furan_080.in ├── IHB100x10_02.014_NHk-O__guanidinium--furan_100.in ├── IHB100x10_02.014_NHk-O__guanidinium--furan_150.in ├── IHB100x10_02.014_NHk-O__guanidinium--furan_monA.in ├── IHB100x10_02.014_NHk-O__guanidinium--furan_monB.in ├── IHB100x10_02.015_NHk-O__guanidinium--nitromethane_080.in ├── IHB100x10_02.015_NHk-O__guanidinium--nitromethane_100.in ├── IHB100x10_02.015_NHk-O__guanidinium--nitromethane_150.in ├── IHB100x10_02.015_NHk-O__guanidinium--nitromethane_monA.in ├── IHB100x10_02.015_NHk-O__guanidinium--nitromethane_monB.in ├── IHB100x10_03.001_NHk-N__ammonium--methylazide_080.in ├── IHB100x10_03.001_NHk-N__ammonium--methylazide_100.in ├── IHB100x10_03.001_NHk-N__ammonium--methylazide_150.in ├── IHB100x10_03.001_NHk-N__ammonium--methylazide_monA.in ├── IHB100x10_03.001_NHk-N__ammonium--methylazide_monB.in ├── IHB100x10_03.002_NHk-N__ammonium--methylcyanate_080.in ├── IHB100x10_03.002_NHk-N__ammonium--methylcyanate_100.in ├── IHB100x10_03.002_NHk-N__ammonium--methylcyanate_150.in ├── IHB100x10_03.002_NHk-N__ammonium--methylcyanate_monA.in ├── IHB100x10_03.002_NHk-N__ammonium--methylcyanate_monB.in ├── IHB100x10_03.003_NHk-N__guanidinium--ammonia_080.in ├── IHB100x10_03.003_NHk-N__guanidinium--ammonia_100.in ├── IHB100x10_03.003_NHk-N__guanidinium--ammonia_150.in ├── IHB100x10_03.003_NHk-N__guanidinium--ammonia_monA.in ├── IHB100x10_03.003_NHk-N__guanidinium--ammonia_monB.in ├── IHB100x10_03.004_NHk-N__guanidinium--dimethyldiazene_080.in ├── IHB100x10_03.004_NHk-N__guanidinium--dimethyldiazene_100.in ├── IHB100x10_03.004_NHk-N__guanidinium--dimethyldiazene_150.in ├── IHB100x10_03.004_NHk-N__guanidinium--dimethyldiazene_monA.in ├── IHB100x10_03.004_NHk-N__guanidinium--dimethyldiazene_monB.in ├── IHB100x10_03.005_NHk-N__imidazolium--acetonitrile_080.in ├── IHB100x10_03.005_NHk-N__imidazolium--acetonitrile_100.in ├── IHB100x10_03.005_NHk-N__imidazolium--acetonitrile_150.in ├── IHB100x10_03.005_NHk-N__imidazolium--acetonitrile_monA.in ├── IHB100x10_03.005_NHk-N__imidazolium--acetonitrile_monB.in ├── IHB100x10_03.006_NHk-N__imidazolium--aniline_080.in ├── IHB100x10_03.006_NHk-N__imidazolium--aniline_100.in ├── IHB100x10_03.006_NHk-N__imidazolium--aniline_150.in ├── IHB100x10_03.006_NHk-N__imidazolium--aniline_monA.in ├── IHB100x10_03.006_NHk-N__imidazolium--aniline_monB.in ├── IHB100x10_03.007_NHk-N__trimethylammonium--acetonitrile_080.in ├── IHB100x10_03.007_NHk-N__trimethylammonium--acetonitrile_100.in ├── IHB100x10_03.007_NHk-N__trimethylammonium--acetonitrile_150.in ├── IHB100x10_03.007_NHk-N__trimethylammonium--acetonitrile_monA.in ├── IHB100x10_03.007_NHk-N__trimethylammonium--acetonitrile_monB.in ├── IHB100x10_03.008_NHk-N__trimethylammonium--ammonia_080.in ├── IHB100x10_03.008_NHk-N__trimethylammonium--ammonia_100.in ├── IHB100x10_03.008_NHk-N__trimethylammonium--ammonia_150.in ├── IHB100x10_03.008_NHk-N__trimethylammonium--ammonia_monA.in ├── IHB100x10_03.008_NHk-N__trimethylammonium--ammonia_monB.in ├── IHB100x10_03.009_NHk-N__trimethylammonium--dimethylamine_080.in ├── IHB100x10_03.009_NHk-N__trimethylammonium--dimethylamine_100.in ├── IHB100x10_03.009_NHk-N__trimethylammonium--dimethylamine_150.in ├── IHB100x10_03.009_NHk-N__trimethylammonium--dimethylamine_monA.in ├── IHB100x10_03.009_NHk-N__trimethylammonium--dimethylamine_monB.in ├── IHB100x10_03.010_NHk-N__trimethylammonium--dimethyldiazene_080.in ├── IHB100x10_03.010_NHk-N__trimethylammonium--dimethyldiazene_100.in ├── IHB100x10_03.010_NHk-N__trimethylammonium--dimethyldiazene_150.in ├── IHB100x10_03.010_NHk-N__trimethylammonium--dimethyldiazene_monA.in ├── IHB100x10_03.010_NHk-N__trimethylammonium--dimethyldiazene_monB.in ├── IHB100x10_03.011_NHk-N__trimethylammonium--methylamine_080.in ├── IHB100x10_03.011_NHk-N__trimethylammonium--methylamine_100.in ├── IHB100x10_03.011_NHk-N__trimethylammonium--methylamine_150.in ├── IHB100x10_03.011_NHk-N__trimethylammonium--methylamine_monA.in ├── IHB100x10_03.011_NHk-N__trimethylammonium--methylamine_monB.in ├── IHB100x10_03.012_NHk-N__trimethylammonium--methylazide_080.in ├── IHB100x10_03.012_NHk-N__trimethylammonium--methylazide_100.in ├── IHB100x10_03.012_NHk-N__trimethylammonium--methylazide_150.in ├── IHB100x10_03.012_NHk-N__trimethylammonium--methylazide_monA.in ├── IHB100x10_03.012_NHk-N__trimethylammonium--methylazide_monB.in ├── IHB100x10_03.013_NHk-N__trimethylammonium--trimethylamine_080.in ├── IHB100x10_03.013_NHk-N__trimethylammonium--trimethylamine_100.in ├── IHB100x10_03.013_NHk-N__trimethylammonium--trimethylamine_150.in ├── IHB100x10_03.013_NHk-N__trimethylammonium--trimethylamine_monA.in ├── IHB100x10_03.013_NHk-N__trimethylammonium--trimethylamine_monB.in ├── IHB100x10_03.014_NHk-N__guanidinium--methylcyanate_080.in ├── IHB100x10_03.014_NHk-N__guanidinium--methylcyanate_100.in ├── IHB100x10_03.014_NHk-N__guanidinium--methylcyanate_150.in ├── IHB100x10_03.014_NHk-N__guanidinium--methylcyanate_monA.in ├── IHB100x10_03.014_NHk-N__guanidinium--methylcyanate_monB.in ├── IHB100x10_03.015_NHk-N__guanidinium--Nmethyl2propanimine_080.in ├── IHB100x10_03.015_NHk-N__guanidinium--Nmethyl2propanimine_100.in ├── IHB100x10_03.015_NHk-N__guanidinium--Nmethyl2propanimine_150.in ├── IHB100x10_03.015_NHk-N__guanidinium--Nmethyl2propanimine_monA.in ├── IHB100x10_03.015_NHk-N__guanidinium--Nmethyl2propanimine_monB.in ├── IHB100x10_04.001_NHk-C__ammonium--methylisocyanide_080.in ├── IHB100x10_04.001_NHk-C__ammonium--methylisocyanide_100.in ├── IHB100x10_04.001_NHk-C__ammonium--methylisocyanide_150.in ├── IHB100x10_04.001_NHk-C__ammonium--methylisocyanide_monA.in ├── IHB100x10_04.001_NHk-C__ammonium--methylisocyanide_monB.in ├── IHB100x10_04.002_NHk-C__imidazolium--methylisocyanide_080.in ├── IHB100x10_04.002_NHk-C__imidazolium--methylisocyanide_100.in ├── IHB100x10_04.002_NHk-C__imidazolium--methylisocyanide_150.in ├── IHB100x10_04.002_NHk-C__imidazolium--methylisocyanide_monA.in ├── IHB100x10_04.002_NHk-C__imidazolium--methylisocyanide_monB.in ├── IHB100x10_04.003_NHk-C__trimethylammonium--methylisocyanide_080.in ├── IHB100x10_04.003_NHk-C__trimethylammonium--methylisocyanide_100.in ├── IHB100x10_04.003_NHk-C__trimethylammonium--methylisocyanide_150.in ├── IHB100x10_04.003_NHk-C__trimethylammonium--methylisocyanide_monA.in ├── IHB100x10_04.003_NHk-C__trimethylammonium--methylisocyanide_monB.in ├── IHB100x10_04.004_NHk-C__guanidinium--methylisocyanide_080.in ├── IHB100x10_04.004_NHk-C__guanidinium--methylisocyanide_100.in ├── IHB100x10_04.004_NHk-C__guanidinium--methylisocyanide_150.in ├── IHB100x10_04.004_NHk-C__guanidinium--methylisocyanide_monA.in ├── IHB100x10_04.004_NHk-C__guanidinium--methylisocyanide_monB.in ├── IHB100x10_05.001_OH-Oa__water--oxalate_080.in ├── IHB100x10_05.001_OH-Oa__water--oxalate_100.in ├── IHB100x10_05.001_OH-Oa__water--oxalate_150.in ├── IHB100x10_05.001_OH-Oa__water--oxalate_monA.in ├── IHB100x10_05.001_OH-Oa__water--oxalate_monB.in ├── IHB100x10_05.002_OH-Oa__aceticacid--benzoate_080.in ├── IHB100x10_05.002_OH-Oa__aceticacid--benzoate_100.in ├── IHB100x10_05.002_OH-Oa__aceticacid--benzoate_150.in ├── IHB100x10_05.002_OH-Oa__aceticacid--benzoate_monA.in ├── IHB100x10_05.002_OH-Oa__aceticacid--benzoate_monB.in ├── IHB100x10_05.003_OH-Oa__aceticacid--nitrite_080.in ├── IHB100x10_05.003_OH-Oa__aceticacid--nitrite_100.in ├── IHB100x10_05.003_OH-Oa__aceticacid--nitrite_150.in ├── IHB100x10_05.003_OH-Oa__aceticacid--nitrite_monA.in ├── IHB100x10_05.003_OH-Oa__aceticacid--nitrite_monB.in ├── IHB100x10_05.004_OH-Oa__methanol--acetate_080.in ├── IHB100x10_05.004_OH-Oa__methanol--acetate_100.in ├── IHB100x10_05.004_OH-Oa__methanol--acetate_150.in ├── IHB100x10_05.004_OH-Oa__methanol--acetate_monA.in ├── IHB100x10_05.004_OH-Oa__methanol--acetate_monB.in ├── IHB100x10_05.005_OH-Oa__methanol--benzoate_080.in ├── IHB100x10_05.005_OH-Oa__methanol--benzoate_100.in ├── IHB100x10_05.005_OH-Oa__methanol--benzoate_150.in ├── IHB100x10_05.005_OH-Oa__methanol--benzoate_monA.in ├── IHB100x10_05.005_OH-Oa__methanol--benzoate_monB.in ├── IHB100x10_05.006_OH-Oa__methanol--nitrate_080.in ├── IHB100x10_05.006_OH-Oa__methanol--nitrate_100.in ├── IHB100x10_05.006_OH-Oa__methanol--nitrate_150.in ├── IHB100x10_05.006_OH-Oa__methanol--nitrate_monA.in ├── IHB100x10_05.006_OH-Oa__methanol--nitrate_monB.in ├── IHB100x10_05.007_OH-Oa__methanol--nitrite_080.in ├── IHB100x10_05.007_OH-Oa__methanol--nitrite_100.in ├── IHB100x10_05.007_OH-Oa__methanol--nitrite_150.in ├── IHB100x10_05.007_OH-Oa__methanol--nitrite_monA.in ├── IHB100x10_05.007_OH-Oa__methanol--nitrite_monB.in ├── IHB100x10_05.008_OH-Oa__phenol--acetate_080.in ├── IHB100x10_05.008_OH-Oa__phenol--acetate_100.in ├── IHB100x10_05.008_OH-Oa__phenol--acetate_150.in ├── IHB100x10_05.008_OH-Oa__phenol--acetate_monA.in ├── IHB100x10_05.008_OH-Oa__phenol--acetate_monB.in ├── IHB100x10_05.009_OH-Oa__phenol--benzoate_080.in ├── IHB100x10_05.009_OH-Oa__phenol--benzoate_100.in ├── IHB100x10_05.009_OH-Oa__phenol--benzoate_150.in ├── IHB100x10_05.009_OH-Oa__phenol--benzoate_monA.in ├── IHB100x10_05.009_OH-Oa__phenol--benzoate_monB.in ├── IHB100x10_05.010_OH-Oa__phenol--nitrate_080.in ├── IHB100x10_05.010_OH-Oa__phenol--nitrate_100.in ├── IHB100x10_05.010_OH-Oa__phenol--nitrate_150.in ├── IHB100x10_05.010_OH-Oa__phenol--nitrate_monA.in ├── IHB100x10_05.010_OH-Oa__phenol--nitrate_monB.in ├── IHB100x10_05.011_OH-Oa__phenol--nitrite_080.in ├── IHB100x10_05.011_OH-Oa__phenol--nitrite_100.in ├── IHB100x10_05.011_OH-Oa__phenol--nitrite_150.in ├── IHB100x10_05.011_OH-Oa__phenol--nitrite_monA.in ├── IHB100x10_05.011_OH-Oa__phenol--nitrite_monB.in ├── IHB100x10_05.012_OH-Oa__water--hydroxide_080.in ├── IHB100x10_05.012_OH-Oa__water--hydroxide_100.in ├── IHB100x10_05.012_OH-Oa__water--hydroxide_150.in ├── IHB100x10_05.012_OH-Oa__water--hydroxide_monA.in ├── IHB100x10_05.012_OH-Oa__water--hydroxide_monB.in ├── IHB100x10_05.013_OH-Oa__water--nitrate_080.in ├── IHB100x10_05.013_OH-Oa__water--nitrate_100.in ├── IHB100x10_05.013_OH-Oa__water--nitrate_150.in ├── IHB100x10_05.013_OH-Oa__water--nitrate_monA.in ├── IHB100x10_05.013_OH-Oa__water--nitrate_monB.in ├── IHB100x10_05.014_OH-Oa__water--nitrite_080.in ├── IHB100x10_05.014_OH-Oa__water--nitrite_100.in ├── IHB100x10_05.014_OH-Oa__water--nitrite_150.in ├── IHB100x10_05.014_OH-Oa__water--nitrite_monA.in ├── IHB100x10_05.014_OH-Oa__water--nitrite_monB.in ├── IHB100x10_05.015_OH-Oa__water--benzoate_080.in ├── IHB100x10_05.015_OH-Oa__water--benzoate_100.in ├── IHB100x10_05.015_OH-Oa__water--benzoate_150.in ├── IHB100x10_05.015_OH-Oa__water--benzoate_monA.in ├── IHB100x10_05.015_OH-Oa__water--benzoate_monB.in ├── IHB100x10_06.001_OH-Na__aceticacid--cyanide_080.in ├── IHB100x10_06.001_OH-Na__aceticacid--cyanide_100.in ├── IHB100x10_06.001_OH-Na__aceticacid--cyanide_150.in ├── IHB100x10_06.001_OH-Na__aceticacid--cyanide_monA.in ├── IHB100x10_06.001_OH-Na__aceticacid--cyanide_monB.in ├── IHB100x10_06.002_OH-Na__phenol--cyanide_080.in ├── IHB100x10_06.002_OH-Na__phenol--cyanide_100.in ├── IHB100x10_06.002_OH-Na__phenol--cyanide_150.in ├── IHB100x10_06.002_OH-Na__phenol--cyanide_monA.in ├── IHB100x10_06.002_OH-Na__phenol--cyanide_monB.in ├── IHB100x10_06.003_OH-Na__water--cyanide_080.in ├── IHB100x10_06.003_OH-Na__water--cyanide_100.in ├── IHB100x10_06.003_OH-Na__water--cyanide_150.in ├── IHB100x10_06.003_OH-Na__water--cyanide_monA.in ├── IHB100x10_06.003_OH-Na__water--cyanide_monB.in ├── IHB100x10_07.001_OH-Ca__methanol--cyanide_080.in ├── IHB100x10_07.001_OH-Ca__methanol--cyanide_100.in ├── IHB100x10_07.001_OH-Ca__methanol--cyanide_150.in ├── IHB100x10_07.001_OH-Ca__methanol--cyanide_monA.in ├── IHB100x10_07.001_OH-Ca__methanol--cyanide_monB.in ├── IHB100x10_07.002_OH-Ca__water--cyanide_080.in ├── IHB100x10_07.002_OH-Ca__water--cyanide_100.in ├── IHB100x10_07.002_OH-Ca__water--cyanide_150.in ├── IHB100x10_07.002_OH-Ca__water--cyanide_monA.in ├── IHB100x10_07.002_OH-Ca__water--cyanide_monB.in ├── IHB100x10_08.001_NH-Oa__ammonia--carbonate_080.in ├── IHB100x10_08.001_NH-Oa__ammonia--carbonate_100.in ├── IHB100x10_08.001_NH-Oa__ammonia--carbonate_150.in ├── IHB100x10_08.001_NH-Oa__ammonia--carbonate_monA.in ├── IHB100x10_08.001_NH-Oa__ammonia--carbonate_monB.in ├── IHB100x10_08.002_NH-Oa__ammonia--oxalate_080.in ├── IHB100x10_08.002_NH-Oa__ammonia--oxalate_100.in ├── IHB100x10_08.002_NH-Oa__ammonia--oxalate_150.in ├── IHB100x10_08.002_NH-Oa__ammonia--oxalate_monA.in ├── IHB100x10_08.002_NH-Oa__ammonia--oxalate_monB.in ├── IHB100x10_08.003_NH-Oa__1Hpyrrole--acetate_080.in ├── IHB100x10_08.003_NH-Oa__1Hpyrrole--acetate_100.in ├── IHB100x10_08.003_NH-Oa__1Hpyrrole--acetate_150.in ├── IHB100x10_08.003_NH-Oa__1Hpyrrole--acetate_monA.in ├── IHB100x10_08.003_NH-Oa__1Hpyrrole--acetate_monB.in ├── IHB100x10_08.004_NH-Oa__1Hpyrrole--benzoate_080.in ├── IHB100x10_08.004_NH-Oa__1Hpyrrole--benzoate_100.in ├── IHB100x10_08.004_NH-Oa__1Hpyrrole--benzoate_150.in ├── IHB100x10_08.004_NH-Oa__1Hpyrrole--benzoate_monA.in ├── IHB100x10_08.004_NH-Oa__1Hpyrrole--benzoate_monB.in ├── IHB100x10_08.005_NH-Oa__1Hpyrrole--nitrite_080.in ├── IHB100x10_08.005_NH-Oa__1Hpyrrole--nitrite_100.in ├── IHB100x10_08.005_NH-Oa__1Hpyrrole--nitrite_150.in ├── IHB100x10_08.005_NH-Oa__1Hpyrrole--nitrite_monA.in ├── IHB100x10_08.005_NH-Oa__1Hpyrrole--nitrite_monB.in ├── IHB100x10_08.006_NH-Oa__ammonia--acetate_080.in ├── IHB100x10_08.006_NH-Oa__ammonia--acetate_100.in ├── IHB100x10_08.006_NH-Oa__ammonia--acetate_150.in ├── IHB100x10_08.006_NH-Oa__ammonia--acetate_monA.in ├── IHB100x10_08.006_NH-Oa__ammonia--acetate_monB.in ├── IHB100x10_08.007_NH-Oa__ammonia--benzoate_080.in ├── IHB100x10_08.007_NH-Oa__ammonia--benzoate_100.in ├── IHB100x10_08.007_NH-Oa__ammonia--benzoate_150.in ├── IHB100x10_08.007_NH-Oa__ammonia--benzoate_monA.in ├── IHB100x10_08.007_NH-Oa__ammonia--benzoate_monB.in ├── IHB100x10_08.008_NH-Oa__aniline--benzoate_080.in ├── IHB100x10_08.008_NH-Oa__aniline--benzoate_100.in ├── IHB100x10_08.008_NH-Oa__aniline--benzoate_150.in ├── IHB100x10_08.008_NH-Oa__aniline--benzoate_monA.in ├── IHB100x10_08.008_NH-Oa__aniline--benzoate_monB.in ├── IHB100x10_08.009_NH-Oa__aniline--nitrite_080.in ├── IHB100x10_08.009_NH-Oa__aniline--nitrite_100.in ├── IHB100x10_08.009_NH-Oa__aniline--nitrite_150.in ├── IHB100x10_08.009_NH-Oa__aniline--nitrite_monA.in ├── IHB100x10_08.009_NH-Oa__aniline--nitrite_monB.in ├── IHB100x10_08.010_NH-Oa__dimethylamine--acetate_080.in ├── IHB100x10_08.010_NH-Oa__dimethylamine--acetate_100.in ├── IHB100x10_08.010_NH-Oa__dimethylamine--acetate_150.in ├── IHB100x10_08.010_NH-Oa__dimethylamine--acetate_monA.in ├── IHB100x10_08.010_NH-Oa__dimethylamine--acetate_monB.in ├── IHB100x10_08.011_NH-Oa__dimethylamine--hydroxide_080.in ├── IHB100x10_08.011_NH-Oa__dimethylamine--hydroxide_100.in ├── IHB100x10_08.011_NH-Oa__dimethylamine--hydroxide_150.in ├── IHB100x10_08.011_NH-Oa__dimethylamine--hydroxide_monA.in ├── IHB100x10_08.011_NH-Oa__dimethylamine--hydroxide_monB.in ├── IHB100x10_08.012_NH-Oa__methylamine--acetate_080.in ├── IHB100x10_08.012_NH-Oa__methylamine--acetate_100.in ├── IHB100x10_08.012_NH-Oa__methylamine--acetate_150.in ├── IHB100x10_08.012_NH-Oa__methylamine--acetate_monA.in ├── IHB100x10_08.012_NH-Oa__methylamine--acetate_monB.in ├── IHB100x10_08.013_NH-Oa__methylamine--benzoate_080.in ├── IHB100x10_08.013_NH-Oa__methylamine--benzoate_100.in ├── IHB100x10_08.013_NH-Oa__methylamine--benzoate_150.in ├── IHB100x10_08.013_NH-Oa__methylamine--benzoate_monA.in ├── IHB100x10_08.013_NH-Oa__methylamine--benzoate_monB.in ├── IHB100x10_08.014_NH-Oa__methylamine--nitrate_080.in ├── IHB100x10_08.014_NH-Oa__methylamine--nitrate_100.in ├── IHB100x10_08.014_NH-Oa__methylamine--nitrate_150.in ├── IHB100x10_08.014_NH-Oa__methylamine--nitrate_monA.in ├── IHB100x10_08.014_NH-Oa__methylamine--nitrate_monB.in ├── IHB100x10_08.015_NH-Oa__methylamine--nitrite_080.in ├── IHB100x10_08.015_NH-Oa__methylamine--nitrite_100.in ├── IHB100x10_08.015_NH-Oa__methylamine--nitrite_150.in ├── IHB100x10_08.015_NH-Oa__methylamine--nitrite_monA.in ├── IHB100x10_08.015_NH-Oa__methylamine--nitrite_monB.in ├── IHB100x10_09.001_NH-Na__1Hpyrrole--cyanide_080.in ├── IHB100x10_09.001_NH-Na__1Hpyrrole--cyanide_100.in ├── IHB100x10_09.001_NH-Na__1Hpyrrole--cyanide_150.in ├── IHB100x10_09.001_NH-Na__1Hpyrrole--cyanide_monA.in ├── IHB100x10_09.001_NH-Na__1Hpyrrole--cyanide_monB.in ├── IHB100x10_09.002_NH-Na__ammonia--cyanide_080.in ├── IHB100x10_09.002_NH-Na__ammonia--cyanide_100.in ├── IHB100x10_09.002_NH-Na__ammonia--cyanide_150.in ├── IHB100x10_09.002_NH-Na__ammonia--cyanide_monA.in ├── IHB100x10_09.002_NH-Na__ammonia--cyanide_monB.in ├── IHB100x10_09.003_NH-Na__aniline--cyanide_080.in ├── IHB100x10_09.003_NH-Na__aniline--cyanide_100.in ├── IHB100x10_09.003_NH-Na__aniline--cyanide_150.in ├── IHB100x10_09.003_NH-Na__aniline--cyanide_monA.in ├── IHB100x10_09.003_NH-Na__aniline--cyanide_monB.in ├── IHB100x10_09.004_NH-Na__dimethylamine--cyanide_080.in ├── IHB100x10_09.004_NH-Na__dimethylamine--cyanide_100.in ├── IHB100x10_09.004_NH-Na__dimethylamine--cyanide_150.in ├── IHB100x10_09.004_NH-Na__dimethylamine--cyanide_monA.in ├── IHB100x10_09.004_NH-Na__dimethylamine--cyanide_monB.in ├── IHB100x10_09.005_NH-Na__methylamine--cyanide_080.in ├── IHB100x10_09.005_NH-Na__methylamine--cyanide_100.in ├── IHB100x10_09.005_NH-Na__methylamine--cyanide_150.in ├── IHB100x10_09.005_NH-Na__methylamine--cyanide_monA.in ├── IHB100x10_09.005_NH-Na__methylamine--cyanide_monB.in ├── IHB100x10_09.006_NH-Na__Nmethylacetamide--cyanide_080.in ├── IHB100x10_09.006_NH-Na__Nmethylacetamide--cyanide_100.in ├── IHB100x10_09.006_NH-Na__Nmethylacetamide--cyanide_150.in ├── IHB100x10_09.006_NH-Na__Nmethylacetamide--cyanide_monA.in ├── IHB100x10_09.006_NH-Na__Nmethylacetamide--cyanide_monB.in ├── IHB100x10_10.001_NH-Ca__ammonia--cyanide_080.in ├── IHB100x10_10.001_NH-Ca__ammonia--cyanide_100.in ├── IHB100x10_10.001_NH-Ca__ammonia--cyanide_150.in ├── IHB100x10_10.001_NH-Ca__ammonia--cyanide_monA.in ├── IHB100x10_10.001_NH-Ca__ammonia--cyanide_monB.in ├── IHB100x10_10.002_NH-Ca__aniline--cyanide_080.in ├── IHB100x10_10.002_NH-Ca__aniline--cyanide_100.in ├── IHB100x10_10.002_NH-Ca__aniline--cyanide_150.in ├── IHB100x10_10.002_NH-Ca__aniline--cyanide_monA.in ├── IHB100x10_10.002_NH-Ca__aniline--cyanide_monB.in ├── IHB100x10_10.003_NH-Ca__dimethylamine--cyanide_080.in ├── IHB100x10_10.003_NH-Ca__dimethylamine--cyanide_100.in ├── IHB100x10_10.003_NH-Ca__dimethylamine--cyanide_150.in ├── IHB100x10_10.003_NH-Ca__dimethylamine--cyanide_monA.in ├── IHB100x10_10.003_NH-Ca__dimethylamine--cyanide_monB.in ├── IHB100x10_10.004_NH-Ca__methylamine--cyanide_080.in ├── IHB100x10_10.004_NH-Ca__methylamine--cyanide_100.in ├── IHB100x10_10.004_NH-Ca__methylamine--cyanide_150.in ├── IHB100x10_10.004_NH-Ca__methylamine--cyanide_monA.in ├── IHB100x10_10.004_NH-Ca__methylamine--cyanide_monB.in ├── IHB100x10_10.005_NH-Ca__Nmethylacetamide--cyanide_080.in ├── IHB100x10_10.005_NH-Ca__Nmethylacetamide--cyanide_100.in ├── IHB100x10_10.005_NH-Ca__Nmethylacetamide--cyanide_150.in ├── IHB100x10_10.005_NH-Ca__Nmethylacetamide--cyanide_monA.in ├── IHB100x10_10.005_NH-Ca__Nmethylacetamide--cyanide_monB.in ├── IHB100x10_11.001_CH-Oa__ethyne--oxalate_080.in ├── IHB100x10_11.001_CH-Oa__ethyne--oxalate_100.in ├── IHB100x10_11.001_CH-Oa__ethyne--oxalate_150.in ├── IHB100x10_11.001_CH-Oa__ethyne--oxalate_monA.in ├── IHB100x10_11.001_CH-Oa__ethyne--oxalate_monB.in ├── IHB100x10_11.002_CH-Oa__ethene--oxalate_080.in ├── IHB100x10_11.002_CH-Oa__ethene--oxalate_100.in ├── IHB100x10_11.002_CH-Oa__ethene--oxalate_150.in ├── IHB100x10_11.002_CH-Oa__ethene--oxalate_monA.in ├── IHB100x10_11.002_CH-Oa__ethene--oxalate_monB.in ├── IHB100x10_11.003_CH-Oa__benzene--hydroxide_080.in ├── IHB100x10_11.003_CH-Oa__benzene--hydroxide_100.in ├── IHB100x10_11.003_CH-Oa__benzene--hydroxide_150.in ├── IHB100x10_11.003_CH-Oa__benzene--hydroxide_monA.in ├── IHB100x10_11.003_CH-Oa__benzene--hydroxide_monB.in ├── IHB100x10_11.004_CH-Oa__benzene--nitrite_080.in ├── IHB100x10_11.004_CH-Oa__benzene--nitrite_100.in ├── IHB100x10_11.004_CH-Oa__benzene--nitrite_150.in ├── IHB100x10_11.004_CH-Oa__benzene--nitrite_monA.in ├── IHB100x10_11.004_CH-Oa__benzene--nitrite_monB.in ├── IHB100x10_11.005_CH-Oa__ethene--hydroxide_080.in ├── IHB100x10_11.005_CH-Oa__ethene--hydroxide_100.in ├── IHB100x10_11.005_CH-Oa__ethene--hydroxide_150.in ├── IHB100x10_11.005_CH-Oa__ethene--hydroxide_monA.in ├── IHB100x10_11.005_CH-Oa__ethene--hydroxide_monB.in ├── IHB100x10_11.006_CH-Oa__ethene--nitrite_080.in ├── IHB100x10_11.006_CH-Oa__ethene--nitrite_100.in ├── IHB100x10_11.006_CH-Oa__ethene--nitrite_150.in ├── IHB100x10_11.006_CH-Oa__ethene--nitrite_monA.in ├── IHB100x10_11.006_CH-Oa__ethene--nitrite_monB.in ├── IHB100x10_11.007_CH-Oa__ethyne--acetate_080.in ├── IHB100x10_11.007_CH-Oa__ethyne--acetate_100.in ├── IHB100x10_11.007_CH-Oa__ethyne--acetate_150.in ├── IHB100x10_11.007_CH-Oa__ethyne--acetate_monA.in ├── IHB100x10_11.007_CH-Oa__ethyne--acetate_monB.in ├── IHB100x10_11.008_CH-Oa__ethyne--nitrate_080.in ├── IHB100x10_11.008_CH-Oa__ethyne--nitrate_100.in ├── IHB100x10_11.008_CH-Oa__ethyne--nitrate_150.in ├── IHB100x10_11.008_CH-Oa__ethyne--nitrate_monA.in ├── IHB100x10_11.008_CH-Oa__ethyne--nitrate_monB.in ├── IHB100x10_11.009_CH-Oa__methane--acetate_080.in ├── IHB100x10_11.009_CH-Oa__methane--acetate_100.in ├── IHB100x10_11.009_CH-Oa__methane--acetate_150.in ├── IHB100x10_11.009_CH-Oa__methane--acetate_monA.in ├── IHB100x10_11.009_CH-Oa__methane--acetate_monB.in ├── IHB100x10_11.010_CH-Oa__methane--hydroxide_080.in ├── IHB100x10_11.010_CH-Oa__methane--hydroxide_100.in ├── IHB100x10_11.010_CH-Oa__methane--hydroxide_150.in ├── IHB100x10_11.010_CH-Oa__methane--hydroxide_monA.in ├── IHB100x10_11.010_CH-Oa__methane--hydroxide_monB.in ├── IHB100x10_11.011_CH-Oa__methane--nitrate_080.in ├── IHB100x10_11.011_CH-Oa__methane--nitrate_100.in ├── IHB100x10_11.011_CH-Oa__methane--nitrate_150.in ├── IHB100x10_11.011_CH-Oa__methane--nitrate_monA.in ├── IHB100x10_11.011_CH-Oa__methane--nitrate_monB.in ├── IHB100x10_11.012_CH-Oa__methane--nitrite_080.in ├── IHB100x10_11.012_CH-Oa__methane--nitrite_100.in ├── IHB100x10_11.012_CH-Oa__methane--nitrite_150.in ├── IHB100x10_11.012_CH-Oa__methane--nitrite_monA.in ├── IHB100x10_11.012_CH-Oa__methane--nitrite_monB.in ├── IHB100x10_11.013_CH-Oa__benzene--acetate_080.in ├── IHB100x10_11.013_CH-Oa__benzene--acetate_100.in ├── IHB100x10_11.013_CH-Oa__benzene--acetate_150.in ├── IHB100x10_11.013_CH-Oa__benzene--acetate_monA.in ├── IHB100x10_11.013_CH-Oa__benzene--acetate_monB.in ├── IHB100x10_11.014_CH-Oa__benzene--benzoate_080.in ├── IHB100x10_11.014_CH-Oa__benzene--benzoate_100.in ├── IHB100x10_11.014_CH-Oa__benzene--benzoate_150.in ├── IHB100x10_11.014_CH-Oa__benzene--benzoate_monA.in ├── IHB100x10_11.014_CH-Oa__benzene--benzoate_monB.in ├── IHB100x10_11.015_CH-Oa__ethene--acetate_080.in ├── IHB100x10_11.015_CH-Oa__ethene--acetate_100.in ├── IHB100x10_11.015_CH-Oa__ethene--acetate_150.in ├── IHB100x10_11.015_CH-Oa__ethene--acetate_monA.in ├── IHB100x10_11.015_CH-Oa__ethene--acetate_monB.in ├── IHB100x10_12.001_CH-Na__benzene--cyanide_080.in ├── IHB100x10_12.001_CH-Na__benzene--cyanide_100.in ├── IHB100x10_12.001_CH-Na__benzene--cyanide_150.in ├── IHB100x10_12.001_CH-Na__benzene--cyanide_monA.in ├── IHB100x10_12.001_CH-Na__benzene--cyanide_monB.in ├── IHB100x10_12.002_CH-Na__ethene--cyanide_080.in ├── IHB100x10_12.002_CH-Na__ethene--cyanide_100.in ├── IHB100x10_12.002_CH-Na__ethene--cyanide_150.in ├── IHB100x10_12.002_CH-Na__ethene--cyanide_monA.in ├── IHB100x10_12.002_CH-Na__ethene--cyanide_monB.in ├── IHB100x10_12.003_CH-Na__ethyne--cyanide_080.in ├── IHB100x10_12.003_CH-Na__ethyne--cyanide_100.in ├── IHB100x10_12.003_CH-Na__ethyne--cyanide_150.in ├── IHB100x10_12.003_CH-Na__ethyne--cyanide_monA.in ├── IHB100x10_12.003_CH-Na__ethyne--cyanide_monB.in ├── IHB100x10_13.001_CH-Ca__methane--cyanide_080.in ├── IHB100x10_13.001_CH-Ca__methane--cyanide_100.in ├── IHB100x10_13.001_CH-Ca__methane--cyanide_150.in ├── IHB100x10_13.001_CH-Ca__methane--cyanide_monA.in ├── IHB100x10_13.001_CH-Ca__methane--cyanide_monB.in ├── IL16_008.in ├── IL16_008A.in ├── IL16_008B.in ├── IL16_144.in ├── IL16_144A.in ├── IL16_144B.in ├── IL16_147.in ├── IL16_147A.in ├── IL16_147B.in ├── IL16_148.in ├── IL16_148A.in ├── IL16_148B.in ├── IL16_150.in ├── IL16_150A.in ├── IL16_150B.in ├── IL16_152.in ├── IL16_152A.in ├── IL16_152B.in ├── IL16_187.in ├── IL16_187A.in ├── IL16_187B.in ├── IL16_202.in ├── IL16_202A.in ├── IL16_202B.in ├── IL16_212.in ├── IL16_212A.in ├── IL16_212B.in ├── IL16_213.in ├── IL16_213A.in ├── IL16_213B.in ├── IL16_214.in ├── IL16_214A.in ├── IL16_214B.in ├── IL16_227.in ├── IL16_227A.in ├── IL16_227B.in ├── IL16_228.in ├── IL16_228A.in ├── IL16_228B.in ├── IL16_229.in ├── IL16_229A.in ├── IL16_229B.in ├── IL16_230.in ├── IL16_230A.in ├── IL16_230B.in ├── IL16_231.in ├── IL16_231A.in ├── IL16_231B.in ├── INV24_BN_Corannulene.in ├── INV24_BN_Corannulene_TS.in ├── INV24_BN_Sumanene.in ├── INV24_BN_Sumanene_TS.in ├── INV24_Corannulene.in ├── INV24_Corannulene_TS.in ├── INV24_Dibenzocarbazole.in ├── INV24_Dibenzocarbazole_TS.in ├── INV24_Dibenzocycloheptene.in ├── INV24_Dibenzocycloheptene_TS.in ├── INV24_Ether.in ├── INV24_Ether_TS.in ├── INV24_H2O.in ├── INV24_H2O_TS.in ├── INV24_H2S.in ├── INV24_H2S_TS.in ├── INV24_Hexahelicene.in ├── INV24_Hexahelicene_TS.in ├── INV24_Methinecyanine.in ├── INV24_Methinecyanine_TS.in ├── INV24_NCl3.in ├── INV24_NCl3_TS.in ├── INV24_NMe3.in ├── INV24_NMe3_TS.in ├── INV24_PCl3.in ├── INV24_PCl3_TS.in ├── INV24_PH2Ph.in ├── INV24_PH2Ph_TS.in ├── INV24_PMe3.in ├── INV24_PMe3_TS.in ├── INV24_PPh3.in ├── INV24_PPh3_TS.in ├── INV24_Pentahelicene.in ├── INV24_Pentahelicene_TS.in ├── INV24_SO2.in ├── INV24_SO2_TS.in ├── INV24_Sumanene.in ├── INV24_Sumanene_TS.in ├── INV24_Tetrabenzopyracylene.in ├── INV24_Tetrabenzopyracylene_TS.in ├── INV24_Tetrahelicene.in ├── INV24_Tetrahelicene_TS.in ├── INV24_Thioether.in ├── INV24_Thioether_TS.in ├── INV24_Triazasumanene.in ├── INV24_Triazasumanene_TS.in ├── INV24_Triindenotriphenylene.in ├── INV24_Triindenotriphenylene_TS.in ├── IP23_Ar.in ├── IP23_Ar_n.in ├── IP23_BF.in ├── IP23_BF_n.in ├── IP23_BH3.in ├── IP23_BH3_n.in ├── IP23_BN.in ├── IP23_BN_n.in ├── IP23_BeO.in ├── IP23_BeO_n.in ├── IP23_C2.in ├── IP23_C2_n.in ├── IP23_CH2O.in ├── IP23_CH2O_n.in ├── IP23_CH4.in ├── IP23_CH4_n.in ├── IP23_CO.in ├── IP23_CO2.in ├── IP23_CO2_n.in ├── IP23_CO_n.in ├── IP23_CS.in ├── IP23_CS_n.in ├── IP23_F2.in ├── IP23_F2_n.in ├── IP23_H2O.in ├── IP23_H2O_n.in ├── IP23_H2S.in ├── IP23_H2S_n.in ├── IP23_HCl.in ├── IP23_HCl_n.in ├── IP23_HF.in ├── IP23_HF_n.in ├── IP23_LiCl.in ├── IP23_LiCl_n.in ├── IP23_LiF.in ├── IP23_LiF_n.in ├── IP23_N2.in ├── IP23_N2_n.in ├── IP23_NH3.in ├── IP23_NH3_n.in ├── IP23_Ne.in ├── IP23_Ne_n.in ├── IP23_PH3.in ├── IP23_PH3_n.in ├── IP23_SiH4.in ├── IP23_SiH4_n.in ├── IP30_C2F4.in ├── IP30_C2F4_n.in ├── IP30_C2H2.in ├── IP30_C2H2F2.in ├── IP30_C2H2F2_n.in ├── IP30_C2H2_n.in ├── IP30_C2H4.in ├── IP30_C2H4_n.in ├── IP30_C2H6.in ├── IP30_C2H6_n.in ├── IP30_C2N2.in ├── IP30_C2N2_n.in ├── IP30_C3O2.in ├── IP30_C3O2_n.in ├── IP30_CF4.in ├── IP30_CF4_n.in ├── IP30_CH2F2.in ├── IP30_CH2F2_n.in ├── IP30_CH3CCH.in ├── IP30_CH3CCH_n.in ├── IP30_CH3CN.in ├── IP30_CH3CN_n.in ├── IP30_CH3F.in ├── IP30_CH3F_n.in ├── IP30_CH3NC.in ├── IP30_CH3NC_n.in ├── IP30_CHF3.in ├── IP30_CHF3_n.in ├── IP30_FCN.in ├── IP30_FCN_n.in ├── IP30_H2CS.in ├── IP30_H2CS_n.in ├── IP30_HC4H.in ├── IP30_HC4H_n.in ├── IP30_HCCCN.in ├── IP30_HCCCN_n.in ├── IP30_HCCF.in ├── IP30_HCCF_n.in ├── IP30_HCN.in ├── IP30_HCN_n.in ├── IP30_HCONH2.in ├── IP30_HCONH2_n.in ├── IP30_HCOOH.in ├── IP30_HCOOH_n.in ├── IP30_NNO.in ├── IP30_NNO_n.in ├── IP30_NSF.in ├── IP30_NSF_n.in ├── IP30_O3.in ├── IP30_O3_n.in ├── IP30_OCS.in ├── IP30_OCS_n.in ├── IP30_P2.in ├── IP30_P2_n.in ├── IP30_SiF4.in ├── IP30_SiF4_n.in ├── IP30_SiO.in ├── IP30_SiO_n.in ├── IP30_cis-C2H2F2.in ├── IP30_cis-C2H2F2_n.in ├── ISO34_E1.in ├── ISO34_E10.in ├── ISO34_E11.in ├── ISO34_E12.in ├── ISO34_E13.in ├── ISO34_E14.in ├── ISO34_E15.in ├── ISO34_E16.in ├── ISO34_E17.in ├── ISO34_E18.in ├── ISO34_E19.in ├── ISO34_E20.in ├── ISO34_E21.in ├── ISO34_E22.in ├── ISO34_E23.in ├── ISO34_E24.in ├── ISO34_E25.in ├── ISO34_E26.in ├── ISO34_E27.in ├── ISO34_E28.in ├── ISO34_E29.in ├── ISO34_E3.in ├── ISO34_E30.in ├── ISO34_E31.in ├── ISO34_E32.in ├── ISO34_E33.in ├── ISO34_E34.in ├── ISO34_E4.in ├── ISO34_E5.in ├── ISO34_E7.in ├── ISO34_E8.in ├── ISO34_E9.in ├── ISO34_P1.in ├── ISO34_P10.in ├── ISO34_P11.in ├── ISO34_P12.in ├── ISO34_P13.in ├── ISO34_P14.in ├── ISO34_P15.in ├── ISO34_P16.in ├── ISO34_P17.in ├── ISO34_P18.in ├── ISO34_P2.in ├── ISO34_P20.in ├── ISO34_P21.in ├── ISO34_P23.in ├── ISO34_P24.in ├── ISO34_P25.in ├── ISO34_P26.in ├── ISO34_P27.in ├── ISO34_P28.in ├── ISO34_P29.in ├── ISO34_P3.in ├── ISO34_P30.in ├── ISO34_P31.in ├── ISO34_P32.in ├── ISO34_P33.in ├── ISO34_P34.in ├── ISO34_P4.in ├── ISO34_P6.in ├── ISO34_P7.in ├── ISO34_P8.in ├── ISO34_P9.in ├── ISOL24_i10e.in ├── ISOL24_i10p.in ├── ISOL24_i11e.in ├── ISOL24_i11p.in ├── ISOL24_i12e.in ├── ISOL24_i12p.in ├── ISOL24_i13e.in ├── ISOL24_i13p.in ├── ISOL24_i14e.in ├── ISOL24_i14p.in ├── ISOL24_i15e.in ├── ISOL24_i15p.in ├── ISOL24_i16e.in ├── ISOL24_i16p.in ├── ISOL24_i17e.in ├── ISOL24_i17p.in ├── ISOL24_i18e.in ├── ISOL24_i18p.in ├── ISOL24_i19e.in ├── ISOL24_i19p.in ├── ISOL24_i1e.in ├── ISOL24_i1p.in ├── ISOL24_i20e.in ├── ISOL24_i20p.in ├── ISOL24_i21e.in ├── ISOL24_i21p.in ├── ISOL24_i22e.in ├── ISOL24_i22p.in ├── ISOL24_i23e.in ├── ISOL24_i23p.in ├── ISOL24_i24e.in ├── ISOL24_i24p.in ├── ISOL24_i2e.in ├── ISOL24_i2p.in ├── ISOL24_i3e.in ├── ISOL24_i3p.in ├── ISOL24_i4e.in ├── ISOL24_i4p.in ├── ISOL24_i5e.in ├── ISOL24_i5p.in ├── ISOL24_i6e.in ├── ISOL24_i6p.in ├── ISOL24_i7e.in ├── ISOL24_i7p.in ├── ISOL24_i8e.in ├── ISOL24_i8p.in ├── ISOL24_i9e.in ├── ISOL24_i9p.in ├── MB08-165_001.in ├── MB08-165_002.in ├── MB08-165_003.in ├── MB08-165_004.in ├── MB08-165_005.in ├── MB08-165_006.in ├── MB08-165_007.in ├── MB08-165_008.in ├── MB08-165_009.in ├── MB08-165_010.in ├── MB08-165_011.in ├── MB08-165_012.in ├── MB08-165_013.in ├── MB08-165_014.in ├── MB08-165_015.in ├── MB08-165_016.in ├── MB08-165_017.in ├── MB08-165_018.in ├── MB08-165_019.in ├── MB08-165_020.in ├── MB08-165_021.in ├── MB08-165_022.in ├── MB08-165_023.in ├── MB08-165_024.in ├── MB08-165_025.in ├── MB08-165_026.in ├── MB08-165_027.in ├── MB08-165_028.in ├── MB08-165_029.in ├── MB08-165_030.in ├── MB08-165_031.in ├── MB08-165_032.in ├── MB08-165_033.in ├── MB08-165_034.in ├── MB08-165_035.in ├── MB08-165_036.in ├── MB08-165_037.in ├── MB08-165_038.in ├── MB08-165_039.in ├── MB08-165_040.in ├── MB08-165_041.in ├── MB08-165_042.in ├── MB08-165_043.in ├── MB08-165_044.in ├── MB08-165_045.in ├── MB08-165_046.in ├── MB08-165_047.in ├── MB08-165_048.in ├── MB08-165_049.in ├── MB08-165_050.in ├── MB08-165_051.in ├── MB08-165_052.in ├── MB08-165_053.in ├── MB08-165_054.in ├── MB08-165_055.in ├── MB08-165_056.in ├── MB08-165_057.in ├── MB08-165_058.in ├── MB08-165_059.in ├── MB08-165_060.in ├── MB08-165_061.in ├── MB08-165_062.in ├── MB08-165_063.in ├── MB08-165_064.in ├── MB08-165_065.in ├── MB08-165_066.in ├── MB08-165_067.in ├── MB08-165_068.in ├── MB08-165_069.in ├── MB08-165_070.in ├── MB08-165_071.in ├── MB08-165_072.in ├── MB08-165_073.in ├── MB08-165_074.in ├── MB08-165_075.in ├── MB08-165_076.in ├── MB08-165_077.in ├── MB08-165_078.in ├── MB08-165_079.in ├── MB08-165_080.in ├── MB08-165_081.in ├── MB08-165_082.in ├── MB08-165_083.in ├── MB08-165_084.in ├── MB08-165_085.in ├── MB08-165_086.in ├── MB08-165_087.in ├── MB08-165_088.in ├── MB08-165_089.in ├── MB08-165_090.in ├── MB08-165_091.in ├── MB08-165_092.in ├── MB08-165_093.in ├── MB08-165_094.in ├── MB08-165_095.in ├── MB08-165_096.in ├── MB08-165_097.in ├── MB08-165_098.in ├── MB08-165_099.in ├── MB08-165_100.in ├── MB08-165_101.in ├── MB08-165_102.in ├── MB08-165_103.in ├── MB08-165_104.in ├── MB08-165_105.in ├── MB08-165_106.in ├── MB08-165_107.in ├── MB08-165_108.in ├── MB08-165_109.in ├── MB08-165_110.in ├── MB08-165_111.in ├── MB08-165_112.in ├── MB08-165_113.in ├── MB08-165_114.in ├── MB08-165_115.in ├── MB08-165_116.in ├── MB08-165_117.in ├── MB08-165_118.in ├── MB08-165_119.in ├── MB08-165_120.in ├── MB08-165_121.in ├── MB08-165_122.in ├── MB08-165_123.in ├── MB08-165_124.in ├── MB08-165_125.in ├── MB08-165_126.in ├── MB08-165_127.in ├── MB08-165_128.in ├── MB08-165_129.in ├── MB08-165_130.in ├── MB08-165_131.in ├── MB08-165_132.in ├── MB08-165_133.in ├── MB08-165_134.in ├── MB08-165_135.in ├── MB08-165_136.in ├── MB08-165_137.in ├── MB08-165_138.in ├── MB08-165_139.in ├── MB08-165_140.in ├── MB08-165_141.in ├── MB08-165_142.in ├── MB08-165_143.in ├── MB08-165_144.in ├── MB08-165_145.in ├── MB08-165_146.in ├── MB08-165_147.in ├── MB08-165_148.in ├── MB08-165_149.in ├── MB08-165_150.in ├── MB08-165_151.in ├── MB08-165_152.in ├── MB08-165_153.in ├── MB08-165_154.in ├── MB08-165_155.in ├── MB08-165_156.in ├── MB08-165_157.in ├── MB08-165_158.in ├── MB08-165_159.in ├── MB08-165_160.in ├── MB08-165_161.in ├── MB08-165_162.in ├── MB08-165_163.in ├── MB08-165_164.in ├── MB08-165_165.in ├── MB08-165_166_h.in ├── MB08-165_167_li.in ├── MB08-165_168_be.in ├── MB08-165_169_b.in ├── MB08-165_170_c.in ├── MB08-165_171_n.in ├── MB08-165_172_o.in ├── MB08-165_173_f.in ├── MB08-165_174_na.in ├── MB08-165_175_mg.in ├── MB08-165_176_al.in ├── MB08-165_177_si.in ├── MB08-165_178_p.in ├── MB08-165_179_s.in ├── MB08-165_180_cl.in ├── MB16-43_01.in ├── MB16-43_02.in ├── MB16-43_03.in ├── MB16-43_04.in ├── MB16-43_05.in ├── MB16-43_06.in ├── MB16-43_07.in ├── MB16-43_08.in ├── MB16-43_09.in ├── MB16-43_10.in ├── MB16-43_11.in ├── MB16-43_12.in ├── MB16-43_13.in ├── MB16-43_14.in ├── MB16-43_15.in ├── MB16-43_16.in ├── MB16-43_17.in ├── MB16-43_18.in ├── MB16-43_19.in ├── MB16-43_20.in ├── MB16-43_21.in ├── MB16-43_22.in ├── MB16-43_23.in ├── MB16-43_24.in ├── MB16-43_25.in ├── MB16-43_26.in ├── MB16-43_27.in ├── MB16-43_28.in ├── MB16-43_29.in ├── MB16-43_30.in ├── MB16-43_31.in ├── MB16-43_32.in ├── MB16-43_33.in ├── MB16-43_34.in ├── MB16-43_35.in ├── MB16-43_36.in ├── MB16-43_37.in ├── MB16-43_38.in ├── MB16-43_39.in ├── MB16-43_40.in ├── MB16-43_41.in ├── MB16-43_42.in ├── MB16-43_43.in ├── MB16-43_AlH3.in ├── MB16-43_BH3.in ├── MB16-43_BeH2.in ├── MB16-43_CH4.in ├── MB16-43_Cl2.in ├── MB16-43_F2.in ├── MB16-43_H2.in ├── MB16-43_LiH.in ├── MB16-43_MgH2.in ├── MB16-43_N2.in ├── MB16-43_NaH.in ├── MB16-43_O2.in ├── MB16-43_P2.in ├── MB16-43_S2.in ├── MB16-43_SiH4.in ├── MCONF_1.in ├── MCONF_10.in ├── MCONF_11.in ├── MCONF_12.in ├── MCONF_13.in ├── MCONF_14.in ├── MCONF_15.in ├── MCONF_16.in ├── MCONF_17.in ├── MCONF_18.in ├── MCONF_19.in ├── MCONF_2.in ├── MCONF_20.in ├── MCONF_21.in ├── MCONF_22.in ├── MCONF_23.in ├── MCONF_24.in ├── MCONF_25.in ├── MCONF_26.in ├── MCONF_27.in ├── MCONF_28.in ├── MCONF_29.in ├── MCONF_3.in ├── MCONF_30.in ├── MCONF_31.in ├── MCONF_32.in ├── MCONF_33.in ├── MCONF_34.in ├── MCONF_35.in ├── MCONF_36.in ├── MCONF_37.in ├── MCONF_38.in ├── MCONF_39.in ├── MCONF_4.in ├── MCONF_40.in ├── MCONF_41.in ├── MCONF_42.in ├── MCONF_43.in ├── MCONF_44.in ├── MCONF_45.in ├── MCONF_46.in ├── MCONF_47.in ├── MCONF_48.in ├── MCONF_49.in ├── MCONF_5.in ├── MCONF_50.in ├── MCONF_51.in ├── MCONF_52.in ├── MCONF_6.in ├── MCONF_7.in ├── MCONF_8.in ├── MCONF_9.in ├── MME55_AAP_int1a.in ├── MME55_AAP_int1b.in ├── MME55_AAP_int2.in ├── MME55_AAP_int3.in ├── MME55_AAP_p.in ├── MME55_AAP_r.in ├── MME55_AAP_ts1.in ├── MME55_AAP_ts2.in ├── MME55_AAP_ts3.in ├── MME55_AAP_ts4.in ├── MME55_AH_int1.in ├── MME55_AH_int2.in ├── MME55_AH_int3.in ├── MME55_AH_int4.in ├── MME55_AH_p.in ├── MME55_AH_r.in ├── MME55_AH_ts1.in ├── MME55_AH_ts2.in ├── MME55_AH_ts3.in ├── MME55_AH_ts4.in ├── MME55_CDO_1A.in ├── MME55_CDO_1B.in ├── MME55_CDO_1C.in ├── MME55_CDO_3A.in ├── MME55_CDO_3B.in ├── MME55_CDO_3Cprime.in ├── MME55_CDO_3D.in ├── MME55_CDO_5A.in ├── MME55_CDO_5B.in ├── MME55_CDO_5C.in ├── MME55_CDO_5Cprime.in ├── MME55_CDO_5D.in ├── MME55_CoNHase_EP.in ├── MME55_CoNHase_ES.in ├── MME55_CoNHase_INT1.in ├── MME55_CoNHase_INT2.in ├── MME55_DMML_INT1.in ├── MME55_DMML_INT2.in ├── MME55_DMML_INT3.in ├── MME55_DMML_INT4.in ├── MME55_DMML_PROD1.in ├── MME55_DMML_REACT.in ├── MME55_Hc_1_1.in ├── MME55_Hc_1_2a.in ├── MME55_Hc_1_3.in ├── MME55_Hc_3_1.in ├── MME55_Hc_3_2a.in ├── MME55_Hc_3_3.in ├── MME55_Hc_3_TS1.in ├── MME55_Hc_3_TS2.in ├── MME55_MoCuCODH_Int1A.in ├── MME55_MoCuCODH_Int2A.in ├── MME55_MoCuCODH_Int3A.in ├── MME55_MoCuCODH_Int4A.in ├── MME55_MoCuCODH_Int5A.in ├── MME55_MoCuCODH_Int6A.in ├── MME55_NiSOD_4_singlet.in ├── MME55_NiSOD_4_triplet.in ├── MME55_NiSOD_4prime_singlet.in ├── MME55_NiSOD_4prime_triplet.in ├── MME55_NiSOD_TS4.in ├── MME55_PTE_i.in ├── MME55_PTE_r.in ├── MME55_PTE_ts1.in ├── MME55_PTE_ts2.in ├── MME55_WFOR_int.in ├── MME55_WFOR_p.in ├── MME55_WFOR_r.in ├── MME55_WFOR_ts1.in ├── MME55_WFOR_ts2.in ├── MOBH35_01_end.in ├── MOBH35_01_start.in ├── MOBH35_01_ts.in ├── MOBH35_02_end.in ├── MOBH35_02_start.in ├── MOBH35_02_ts.in ├── MOBH35_03_end.in ├── MOBH35_03_start.in ├── MOBH35_03_ts.in ├── MOBH35_04_end.in ├── MOBH35_04_start.in ├── MOBH35_04_ts.in ├── MOBH35_05_end_correct.in ├── MOBH35_05_start.in ├── MOBH35_05_ts.in ├── MOBH35_06_end.in ├── MOBH35_06_start.in ├── MOBH35_06_ts.in ├── MOBH35_07_end.in ├── MOBH35_07_start.in ├── MOBH35_07_ts.in ├── MOBH35_08_end.in ├── MOBH35_08_start.in ├── MOBH35_08_ts.in ├── MOBH35_10_end_MAI.in ├── MOBH35_10_start_MAI.in ├── MOBH35_10_ts_MAI.in ├── MOBH35_11_end.in ├── MOBH35_11_start.in ├── MOBH35_11_ts.in ├── MOBH35_12_end.in ├── MOBH35_12_start.in ├── MOBH35_12_ts.in ├── MOBH35_13_end.in ├── MOBH35_13_start.in ├── MOBH35_13_ts.in ├── MOBH35_14_end.in ├── MOBH35_14_start.in ├── MOBH35_14_ts.in ├── MOBH35_15_end.in ├── MOBH35_15_start.in ├── MOBH35_15_ts.in ├── MOBH35_16_end.in ├── MOBH35_16_start.in ├── MOBH35_16_ts.in ├── MOBH35_21_end.in ├── MOBH35_21_start.in ├── MOBH35_21_ts.in ├── MOBH35_22_end.in ├── MOBH35_22_start.in ├── MOBH35_22_ts.in ├── MOBH35_23_end.in ├── MOBH35_23_start.in ├── MOBH35_23_ts.in ├── MOBH35_26_end.in ├── MOBH35_26_start.in ├── MOBH35_26_ts.in ├── MOBH35_27_end.in ├── MOBH35_27_start.in ├── MOBH35_27_ts.in ├── MOBH35_28_end.in ├── MOBH35_28_start.in ├── MOBH35_28_ts.in ├── MOBH35_29_end.in ├── MOBH35_29_start.in ├── MOBH35_29_ts.in ├── MOBH35_30_end.in ├── MOBH35_30_start.in ├── MOBH35_30_ts.in ├── MOBH35_31_end.in ├── MOBH35_31_start.in ├── MOBH35_31_ts.in ├── MOBH35_32_end.in ├── MOBH35_32_start.in ├── MOBH35_32_ts.in ├── MOBH35_33_end.in ├── MOBH35_33_start.in ├── MOBH35_33_ts.in ├── MOBH35_34_end.in ├── MOBH35_34_start.in ├── MOBH35_34_ts.in ├── MOBH35_35_end_MAI.in ├── MOBH35_35_start_MAI.in ├── MOBH35_35_ts_MAI.in ├── MOBH35_prodCH4.in ├── MOBH35_prodCO.in ├── MOR01_accl.in ├── MOR02_bz.in ├── MOR03_c2h4.in ├── MOR04_c2h6.in ├── MOR05_co.in ├── MOR06_cod.in ├── MOR07_ed01.in ├── MOR08_ed05.in ├── MOR09_ed07.in ├── MOR10_ed09.in ├── MOR11_ed11.in ├── MOR12_ed18.in ├── MOR13_ed24.in ├── MOR14_ed26.in ├── MOR15_ed28.in ├── MOR16_ed33.in ├── MOR17_ed36.in ├── MOR18_ed37.in ├── MOR19_h2.in ├── MOR20_i2.in ├── MOR21_mecn.in ├── MOR22_pcy3.in ├── MOR23_phseh.in ├── MOR24_pme3.in ├── MOR25_pr01.in ├── MOR26_pr05.in ├── MOR27_pr07.in ├── MOR28_pr09.in ├── MOR29_pr11.in ├── MOR30_pr12.in ├── MOR31_pr20.in ├── MOR32_pr24.in ├── MOR33_pr28.in ├── MOR34_pr35.in ├── MOR35_pr36.in ├── MOR36_pr37.in ├── MOR37_pr38.in ├── MX35_1109_NaF_006.in ├── MX35_1109_NaF_008.in ├── MX35_1109_NaF_01.in ├── MX35_1109_NaF_02.in ├── MX35_1109_NaF_04.in ├── MX35_1117_NaCl_006.in ├── MX35_1117_NaCl_008.in ├── MX35_1117_NaCl_01.in ├── MX35_1117_NaCl_02.in ├── MX35_1117_NaCl_04.in ├── MX35_1208_MgO_006.in ├── MX35_1208_MgO_008.in ├── MX35_1208_MgO_01.in ├── MX35_1208_MgO_02.in ├── MX35_1208_MgO_04.in ├── MX35_1216_MgS_006.in ├── MX35_1216_MgS_008.in ├── MX35_1216_MgS_01.in ├── MX35_1216_MgS_02.in ├── MX35_1216_MgS_04.in ├── MX35_1909_KF_006.in ├── MX35_1909_KF_008.in ├── MX35_1909_KF_01.in ├── MX35_1909_KF_02.in ├── MX35_1909_KF_04.in ├── MX35_2008_CaO_006.in ├── MX35_2008_CaO_008.in ├── MX35_2008_CaO_01.in ├── MX35_2008_CaO_02.in ├── MX35_2008_CaO_04.in ├── MX35_2016_CaS_006.in ├── MX35_2016_CaS_008.in ├── MX35_2016_CaS_01.in ├── MX35_2016_CaS_02.in ├── MX35_2016_CaS_04.in ├── MX35_Ca.in ├── MX35_Cl.in ├── MX35_F.in ├── MX35_K.in ├── MX35_Mg.in ├── MX35_Na.in ├── MX35_O.in ├── MX35_S.in ├── NBPRC_BCl3.in ├── NBPRC_BCl3PMe3.in ├── NBPRC_BF3.in ├── NBPRC_BF3PMe3.in ├── NBPRC_BH3.in ├── NBPRC_BH3PH3.in ├── NBPRC_H2.in ├── NBPRC_K_Cl.in ├── NBPRC_K_F.in ├── NBPRC_K_H.in ├── NBPRC_PH3.in ├── NBPRC_PMe3.in ├── NBPRC_bz.in ├── NBPRC_cbut.in ├── NBPRC_ch.in ├── NBPRC_nh-bh.in ├── NBPRC_nh2-bh2.in ├── NBPRC_nh3-bh3.in ├── NBPRC_nh3.in ├── O24x5_c2h3-c2h4_0.9.in ├── O24x5_c2h3-c2h4_1.0.in ├── O24x5_c2h3-c2h4_1.2.in ├── O24x5_c2h3-c2h4_1.5.in ├── O24x5_c2h3-c2h4_2.0.in ├── O24x5_c2h3-c2h4_monA.in ├── O24x5_c2h3-c2h4_monB.in ├── O24x5_c2h3-co2_0.9.in ├── O24x5_c2h3-co2_1.0.in ├── O24x5_c2h3-co2_1.2.in ├── O24x5_c2h3-co2_1.5.in ├── O24x5_c2h3-co2_2.0.in ├── O24x5_c2h3-co2_monA.in ├── O24x5_c2h3-co2_monB.in ├── O24x5_ch2o-nh2_0.9.in ├── O24x5_ch2o-nh2_1.0.in ├── O24x5_ch2o-nh2_1.2.in ├── O24x5_ch2o-nh2_1.5.in ├── O24x5_ch2o-nh2_2.0.in ├── O24x5_ch2o-nh2_monA.in ├── O24x5_ch2o-nh2_monB.in ├── O24x5_cn-ar_0.9.in ├── O24x5_cn-ar_1.0.in ├── O24x5_cn-ar_1.2.in ├── O24x5_cn-ar_1.5.in ├── O24x5_cn-ar_2.0.in ├── O24x5_cn-ar_monA.in ├── O24x5_cn-ar_monB.in ├── O24x5_cn-h2_0.9.in ├── O24x5_cn-h2_1.0.in ├── O24x5_cn-h2_1.2.in ├── O24x5_cn-h2_1.5.in ├── O24x5_cn-h2_2.0.in ├── O24x5_cn-h2_monA.in ├── O24x5_cn-h2_monB.in ├── O24x5_cn-he_0.9.in ├── O24x5_cn-he_1.0.in ├── O24x5_cn-he_1.2.in ├── O24x5_cn-he_1.5.in ├── O24x5_cn-he_2.0.in ├── O24x5_cn-he_monA.in ├── O24x5_cn-he_monB.in ├── O24x5_co2-o2_0.9.in ├── O24x5_co2-o2_1.0.in ├── O24x5_co2-o2_1.2.in ├── O24x5_co2-o2_1.5.in ├── O24x5_co2-o2_2.0.in ├── O24x5_co2-o2_monA.in ├── O24x5_co2-o2_monB.in ├── O24x5_h2o-na_0.9.in ├── O24x5_h2o-na_1.0.in ├── O24x5_h2o-na_1.2.in ├── O24x5_h2o-na_1.5.in ├── O24x5_h2o-na_2.0.in ├── O24x5_h2o-na_monA.in ├── O24x5_h2o-na_monB.in ├── O24x5_h2o-o2_gm_0.9.in ├── O24x5_h2o-o2_gm_1.0.in ├── O24x5_h2o-o2_gm_1.2.in ├── O24x5_h2o-o2_gm_1.5.in ├── O24x5_h2o-o2_gm_2.0.in ├── O24x5_h2o-o2_gm_monA.in ├── O24x5_h2o-o2_gm_monB.in ├── O24x5_h2o-o2_sp_0.9.in ├── O24x5_h2o-o2_sp_1.0.in ├── O24x5_h2o-o2_sp_1.2.in ├── O24x5_h2o-o2_sp_1.5.in ├── O24x5_h2o-o2_sp_2.0.in ├── O24x5_h2o-o2_sp_monA.in ├── O24x5_h2o-o2_sp_monB.in ├── O24x5_h2o-o2h_0.9.in ├── O24x5_h2o-o2h_1.0.in ├── O24x5_h2o-o2h_1.2.in ├── O24x5_h2o-o2h_1.5.in ├── O24x5_h2o-o2h_2.0.in ├── O24x5_h2o-o2h_monA.in ├── O24x5_h2o-o2h_monB.in ├── O24x5_h2o-oh_0.9.in ├── O24x5_h2o-oh_1.0.in ├── O24x5_h2o-oh_1.2.in ├── O24x5_h2o-oh_1.5.in ├── O24x5_h2o-oh_2.0.in ├── O24x5_h2o-oh_monA.in ├── O24x5_h2o-oh_monB.in ├── O24x5_he2_0.9.in ├── O24x5_he2_1.0.in ├── O24x5_he2_1.2.in ├── O24x5_he2_1.5.in ├── O24x5_he2_2.0.in ├── O24x5_he2_monA.in ├── O24x5_he2_monB.in ├── O24x5_hf-co+_0.9.in ├── O24x5_hf-co+_1.0.in ├── O24x5_hf-co+_1.2.in ├── O24x5_hf-co+_1.5.in ├── O24x5_hf-co+_2.0.in ├── O24x5_hf-co+_monA.in ├── O24x5_hf-co+_monB.in ├── O24x5_li-nh3_gm_0.9.in ├── O24x5_li-nh3_gm_1.0.in ├── O24x5_li-nh3_gm_1.2.in ├── O24x5_li-nh3_gm_1.5.in ├── O24x5_li-nh3_gm_2.0.in ├── O24x5_li-nh3_gm_monA.in ├── O24x5_li-nh3_gm_monB.in ├── O24x5_li-nh3_lm_0.9.in ├── O24x5_li-nh3_lm_1.0.in ├── O24x5_li-nh3_lm_1.2.in ├── O24x5_li-nh3_lm_1.5.in ├── O24x5_li-nh3_lm_2.0.in ├── O24x5_li-nh3_lm_monA.in ├── O24x5_li-nh3_lm_monB.in ├── O24x5_li-o2_0.9.in ├── O24x5_li-o2_1.0.in ├── O24x5_li-o2_1.2.in ├── O24x5_li-o2_1.5.in ├── O24x5_li-o2_2.0.in ├── O24x5_li-o2_monA.in ├── O24x5_li-o2_monB.in ├── O24x5_na-li_0.9.in ├── O24x5_na-li_1.0.in ├── O24x5_na-li_1.2.in ├── O24x5_na-li_1.5.in ├── O24x5_na-li_2.0.in ├── O24x5_na-li_monA.in ├── O24x5_na-li_monB.in ├── O24x5_nh-ar_0.9.in ├── O24x5_nh-ar_1.0.in ├── O24x5_nh-ar_1.2.in ├── O24x5_nh-ar_1.5.in ├── O24x5_nh-ar_2.0.in ├── O24x5_nh-ar_monA.in ├── O24x5_nh-ar_monB.in ├── O24x5_nh-he_0.9.in ├── O24x5_nh-he_1.0.in ├── O24x5_nh-he_1.2.in ├── O24x5_nh-he_1.5.in ├── O24x5_nh-he_2.0.in ├── O24x5_nh-he_monA.in ├── O24x5_nh-he_monB.in ├── O24x5_nh-nh_0.9.in ├── O24x5_nh-nh_1.0.in ├── O24x5_nh-nh_1.2.in ├── O24x5_nh-nh_1.5.in ├── O24x5_nh-nh_2.0.in ├── O24x5_nh-nh_monA.in ├── O24x5_nh-nh_monB.in ├── O24x5_o2-h2_0.9.in ├── O24x5_o2-h2_1.0.in ├── O24x5_o2-h2_1.2.in ├── O24x5_o2-h2_1.5.in ├── O24x5_o2-h2_2.0.in ├── O24x5_o2-h2_monA.in ├── O24x5_o2-h2_monB.in ├── O24x5_o2-n2_0.9.in ├── O24x5_o2-n2_1.0.in ├── O24x5_o2-n2_1.2.in ├── O24x5_o2-n2_1.5.in ├── O24x5_o2-n2_2.0.in ├── O24x5_o2-n2_monA.in ├── O24x5_o2-n2_monB.in ├── O24x5_o2-o2_0.9.in ├── O24x5_o2-o2_1.0.in ├── O24x5_o2-o2_1.2.in ├── O24x5_o2-o2_1.5.in ├── O24x5_o2-o2_2.0.in ├── O24x5_o2-o2_monA.in ├── O24x5_o2-o2_monB.in ├── OEEF_c2h2_0.0.in ├── OEEF_c2h2_0.01.in ├── OEEF_c2h2_0.02.in ├── OEEF_c2h2_0.03.in ├── OEEF_c2h2_0.04.in ├── OEEF_c2h2_0.05.in ├── OEEF_c2h4_0.0.in ├── OEEF_c2h4_0.01.in ├── OEEF_c2h4_0.02.in ├── OEEF_c2h4_0.03.in ├── OEEF_c2h4_0.04.in ├── OEEF_c2h4_0.05.in ├── OEEF_c2h6_0.0.in ├── OEEF_c2h6_0.01.in ├── OEEF_c2h6_0.02.in ├── OEEF_c2h6_0.03.in ├── OEEF_c2h6_0.04.in ├── OEEF_cl2_0.0.in ├── OEEF_cl2_0.01.in ├── OEEF_cl2_0.02.in ├── OEEF_cl2_0.03.in ├── OEEF_cl2_0.04.in ├── OEEF_cl2_0.05.in ├── OEEF_co_-0.01.in ├── OEEF_co_-0.02.in ├── OEEF_co_-0.03.in ├── OEEF_co_-0.04.in ├── OEEF_co_-0.05.in ├── OEEF_co_0.0.in ├── OEEF_co_0.01.in ├── OEEF_co_0.02.in ├── OEEF_co_0.03.in ├── OEEF_co_0.04.in ├── OEEF_co_0.05.in ├── OEEF_f2_0.0.in ├── OEEF_f2_0.01.in ├── OEEF_f2_0.02.in ├── OEEF_f2_0.03.in ├── OEEF_f2_0.04.in ├── OEEF_f2_0.05.in ├── OEEF_fluoromethane_-0.01.in ├── OEEF_fluoromethane_-0.02.in ├── OEEF_fluoromethane_-0.03.in ├── OEEF_fluoromethane_-0.04.in ├── OEEF_fluoromethane_-0.05.in ├── OEEF_fluoromethane_0.0.in ├── OEEF_fluoromethane_0.01.in ├── OEEF_fluoromethane_0.02.in ├── OEEF_fluoromethane_0.03.in ├── OEEF_fluoromethane_0.04.in ├── OEEF_fluoromethane_0.05.in ├── OEEF_formaldehyde_-0.01.in ├── OEEF_formaldehyde_-0.02.in ├── OEEF_formaldehyde_-0.03.in ├── OEEF_formaldehyde_-0.04.in ├── OEEF_formaldehyde_-0.05.in ├── OEEF_formaldehyde_0.0.in ├── OEEF_formaldehyde_0.01.in ├── OEEF_formaldehyde_0.02.in ├── OEEF_formaldehyde_0.03.in ├── OEEF_formaldehyde_0.04.in ├── OEEF_formaldehyde_0.05.in ├── OEEF_formamide_-0.01.in ├── OEEF_formamide_-0.02.in ├── OEEF_formamide_-0.03.in ├── OEEF_formamide_0.0.in ├── OEEF_formamide_0.01.in ├── OEEF_formamide_0.02.in ├── OEEF_formamide_0.03.in ├── OEEF_formamide_0.04.in ├── OEEF_formamide_0.05.in ├── OEEF_formicacid_-0.01.in ├── OEEF_formicacid_-0.02.in ├── OEEF_formicacid_-0.03.in ├── OEEF_formicacid_-0.04.in ├── OEEF_formicacid_-0.05.in ├── OEEF_formicacid_0.0.in ├── OEEF_formicacid_0.01.in ├── OEEF_formicacid_0.02.in ├── OEEF_formicacid_0.03.in ├── OEEF_formicacid_0.04.in ├── OEEF_formicacid_0.05.in ├── OEEF_h2_0.0.in ├── OEEF_h2_0.01.in ├── OEEF_h2_0.02.in ├── OEEF_h2_0.03.in ├── OEEF_h2_0.04.in ├── OEEF_h2_0.05.in ├── OEEF_hcl_-0.01.in ├── OEEF_hcl_-0.02.in ├── OEEF_hcl_-0.03.in ├── OEEF_hcl_-0.04.in ├── OEEF_hcl_-0.05.in ├── OEEF_hcl_0.0.in ├── OEEF_hcl_0.01.in ├── OEEF_hcl_0.02.in ├── OEEF_hcl_0.03.in ├── OEEF_hcl_0.04.in ├── OEEF_hcl_0.05.in ├── OEEF_hcn_-0.01.in ├── OEEF_hcn_-0.02.in ├── OEEF_hcn_-0.03.in ├── OEEF_hcn_-0.04.in ├── OEEF_hcn_-0.05.in ├── OEEF_hcn_0.0.in ├── OEEF_hcn_0.01.in ├── OEEF_hcn_0.02.in ├── OEEF_hcn_0.03.in ├── OEEF_hcn_0.04.in ├── OEEF_hcn_0.05.in ├── OEEF_hf_-0.01.in ├── OEEF_hf_-0.02.in ├── OEEF_hf_-0.03.in ├── OEEF_hf_-0.04.in ├── OEEF_hf_-0.05.in ├── OEEF_hf_0.0.in ├── OEEF_hf_0.01.in ├── OEEF_hf_0.02.in ├── OEEF_hf_0.03.in ├── OEEF_hf_0.04.in ├── OEEF_hf_0.05.in ├── OEEF_meoh_-0.01.in ├── OEEF_meoh_-0.02.in ├── OEEF_meoh_-0.03.in ├── OEEF_meoh_-0.04.in ├── OEEF_meoh_-0.05.in ├── OEEF_meoh_0.0.in ├── OEEF_meoh_0.01.in ├── OEEF_meoh_0.02.in ├── OEEF_meoh_0.03.in ├── OEEF_meoh_0.04.in ├── OEEF_meoh_0.05.in ├── OEEF_methylamine_-0.01.in ├── OEEF_methylamine_-0.02.in ├── OEEF_methylamine_-0.03.in ├── OEEF_methylamine_0.0.in ├── OEEF_methylamine_0.01.in ├── OEEF_methylamine_0.02.in ├── OEEF_methylamine_0.03.in ├── OEEF_methylamine_0.04.in ├── OEEF_methylene-imine_-0.01.in ├── OEEF_methylene-imine_-0.02.in ├── OEEF_methylene-imine_-0.03.in ├── OEEF_methylene-imine_-0.04.in ├── OEEF_methylene-imine_-0.05.in ├── OEEF_methylene-imine_0.0.in ├── OEEF_methylene-imine_0.01.in ├── OEEF_methylene-imine_0.02.in ├── OEEF_methylene-imine_0.03.in ├── OEEF_methylene-imine_0.04.in ├── OEEF_methylene-imine_0.05.in ├── OEEF_n2_0.0.in ├── OEEF_n2_0.01.in ├── OEEF_n2_0.02.in ├── OEEF_n2_0.03.in ├── OEEF_n2_0.04.in ├── OEEF_n2_0.05.in ├── ORBH35_CO3B_S01.in ├── ORBH35_CO3B_S02.in ├── ORBH35_CO3B_S03T.in ├── ORBH35_CO3B_S04T.in ├── ORBH35_CO3B_T01.in ├── ORBH35_CO3B_T02.in ├── ORBH35_CO3B_T03T.in ├── ORBH35_CO3B_T04T.in ├── ORBH35_CO3B_T05T.in ├── ORBH35_CO3B_T06T.in ├── ORBH35_CO3B_T07T.in ├── ORBH35_CO3B_T08.in ├── ORBH35_CO3B_T09T.in ├── ORBH35_CO3C_T01T.in ├── ORBH35_CO3C_T02T.in ├── ORBH35_CO3C_tHOOCO.in ├── ORBH35_CO3X_CO.in ├── ORBH35_CO3X_CO2.in ├── ORBH35_CO3X_HO.in ├── ORBH35_CO3X_HO2.in ├── ORBH35_CO3X_O2_t.in ├── ORBH35_CO3X_O_t.in ├── ORBH35_VO_TS10.in ├── ORBH35_VO_TS11.in ├── ORBH35_VO_TS12.in ├── ORBH35_VO_TS13.in ├── ORBH35_VO_TS14.in ├── ORBH35_VO_TS5.in ├── ORBH35_VO_TS6.in ├── ORBH35_VO_TS7.in ├── ORBH35_VO_W1.in ├── ORBH35_VO_W2.in ├── ORBH35_VO_W3.in ├── ORBH35_VO_W4.in ├── ORBH35_VO_W5.in ├── ORBH35_VO_W6.in ├── ORBH35_VO_W7.in ├── ORBH35_VO_W8.in ├── P34_A01_H.in ├── P34_A06_C.in ├── P34_A07_N.in ├── P34_A08_O.in ├── P34_A09_F.in ├── P34_A17_Cl.in ├── P34_A31_Ga.in ├── P34_A32_Ge.in ├── P34_A33_As.in ├── P34_A34_Se.in ├── P34_A35_Br.in ├── P34_A36_Kr.in ├── P34_A49_In.in ├── P34_A50_Sn.in ├── P34_A51_Sb.in ├── P34_A52_Te.in ├── P34_A53_I.in ├── P34_A54_Xe.in ├── P34_P01_Ga2.in ├── P34_P02_As2.in ├── P34_P03_Br2.in ├── P34_P04_AsN.in ├── P34_P05_BrO.in ├── P34_P06_HBr.in ├── P34_P07_GaF.in ├── P34_P08_GaCl.in ├── P34_P09_GaBr.in ├── P34_P10_AsF.in ├── P34_P11_AsCl.in ├── P34_P12_BrF.in ├── P34_P13_BrCl.in ├── P34_P14_I2.in ├── P34_P15_HI.in ├── P34_P16_IO.in ├── P34_P17_ICl.in ├── P34_P18_IBr.in ├── P34_P19_IOH.in ├── P34_P20_ICN.in ├── P34_P21_MeI.in ├── P34_P22_EtI.in ├── P34_P23_CH2CHI.in ├── P34_P24_CF3I.in ├── P34_P25_IC2H4OH.in ├── P34_P26_PhI.in ├── P34_P27_SnH4.in ├── P34_P28_SnF4.in ├── P34_P29_SnCl4.in ├── P34_P30_SnBr4.in ├── P34_P31_SnI4.in ├── P34_P32_SnMe4.in ├── P34_P33_SnMe3H.in ├── P34_P34_SnMe3F.in ├── P34_P35_SnMe3Cl.in ├── P34_P36_SnMe3Br.in ├── P34_P37_SnMe3I.in ├── P34_P38_SnF3H.in ├── P34_P39_SnCl3H.in ├── P34_P40_SnBr3H.in ├── P34_P41_SnMe2H2.in ├── P34_P42_SnMe2F2.in ├── P34_P43_SnMe2Cl2.in ├── P34_P44_SnMe2Br2.in ├── P34_P45C_Ga.in ├── P34_P46C_Ge.in ├── P34_P47C_As.in ├── P34_P48C_Se.in ├── P34_P49C_Br.in ├── P34_P50C_Kr.in ├── P34_P51C_In.in ├── P34_P52C_Sn.in ├── P34_P53C_Sb.in ├── P34_P54C_Te.in ├── P34_P55C_I.in ├── P34_P56C_Xe.in ├── P34_P57C_IO.in ├── P34_P58C_MeI.in ├── P34_P59C_PhI.in ├── P34_P60A_Ga.in ├── P34_P61A_Ge.in ├── P34_P62A_As.in ├── P34_P63A_Se.in ├── P34_P64A_Br.in ├── P34_P65A_In.in ├── P34_P66A_Sn.in ├── P34_P67A_Sb.in ├── P34_P68A_I.in ├── PA26_A.in ├── PA26_Ap.in ├── PA26_C.in ├── PA26_Cp.in ├── PA26_G.in ├── PA26_Gp.in ├── PA26_T.in ├── PA26_Tp.in ├── PA26_ass.in ├── PA26_assp.in ├── PA26_c2f6.in ├── PA26_c2f6p.in ├── PA26_c2h2.in ├── PA26_c2h2p.in ├── PA26_ch2s.in ├── PA26_ch2sp.in ├── PA26_ch3cooh.in ├── PA26_ch3coohp.in ├── PA26_cys.in ├── PA26_cysp.in ├── PA26_ethanol.in ├── PA26_ethanolp.in ├── PA26_gly.in ├── PA26_glyp.in ├── PA26_h2.in ├── PA26_h2o.in ├── PA26_h2op.in ├── PA26_h2p.in ├── PA26_h2s.in ├── PA26_h2sp.in ├── PA26_hcl.in ├── PA26_hclp.in ├── PA26_nh3.in ├── PA26_nh3p.in ├── PA26_p2.in ├── PA26_p2p.in ├── PA26_p4.in ├── PA26_p4p.in ├── PA26_p6.in ├── PA26_p6p.in ├── PA26_p8.in ├── PA26_p8p.in ├── PA26_ph3.in ├── PA26_ph3p.in ├── PA26_phenol.in ├── PA26_phenolp.in ├── PA26_phosphapyrrol.in ├── PA26_phosphapyrrolp.in ├── PA26_si2h6.in ├── PA26_si2h6p.in ├── PA26_sih4.in ├── PA26_sih4p.in ├── PArel_A0.in ├── PArel_A1.in ├── PArel_A2.in ├── PArel_T0.in ├── PArel_T1.in ├── PArel_T2.in ├── PArel_T3.in ├── PArel_aminocoohbz1.in ├── PArel_aminocoohbz2.in ├── PArel_aminocoohbz3.in ├── PArel_arg0.in ├── PArel_arg2.in ├── PArel_c2cl41.in ├── PArel_c2cl42.in ├── PArel_c2cl43.in ├── PArel_c2h2f41.in ├── PArel_c2h2f42.in ├── PArel_h2s2o71.in ├── PArel_h2s2o72.in ├── PArel_h4p2o71.in ├── PArel_h4p2o72.in ├── PArel_his0.in ├── PArel_his1.in ├── PArel_his2.in ├── PArel_his3.in ├── PArel_s4o41.in ├── PArel_s4o42.in ├── PArel_sugar0.in ├── PArel_sugar2.in ├── PArel_sugar3.in ├── PArel_sugar4.in ├── PCONF21_114.in ├── PCONF21_215.in ├── PCONF21_224.in ├── PCONF21_300.in ├── PCONF21_357.in ├── PCONF21_366.in ├── PCONF21_412.in ├── PCONF21_444.in ├── PCONF21_470.in ├── PCONF21_691.in ├── PCONF21_99.in ├── PCONF21_GLY_aL.in ├── PCONF21_GLY_aR.in ├── PCONF21_GLY_ab.in ├── PCONF21_GLY_b.in ├── PCONF21_GLY_pII.in ├── PCONF21_SER_aL.in ├── PCONF21_SER_aR.in ├── PCONF21_SER_ab.in ├── PCONF21_SER_b.in ├── PCONF21_SER_pII.in ├── PNICO23_1.in ├── PNICO23_10.in ├── PNICO23_10a.in ├── PNICO23_10b.in ├── PNICO23_11.in ├── PNICO23_11a.in ├── PNICO23_11b.in ├── PNICO23_12.in ├── PNICO23_12a.in ├── PNICO23_12b.in ├── PNICO23_13.in ├── PNICO23_13a.in ├── PNICO23_13b.in ├── PNICO23_14.in ├── PNICO23_14a.in ├── PNICO23_14b.in ├── PNICO23_15.in ├── PNICO23_15a.in ├── PNICO23_15b.in ├── PNICO23_16.in ├── PNICO23_16a.in ├── PNICO23_16b.in ├── PNICO23_17.in ├── PNICO23_17a.in ├── PNICO23_17b.in ├── PNICO23_18.in ├── PNICO23_18a.in ├── PNICO23_18b.in ├── PNICO23_19.in ├── PNICO23_19a.in ├── PNICO23_19b.in ├── PNICO23_1a.in ├── PNICO23_1b.in ├── PNICO23_2.in ├── PNICO23_20.in ├── PNICO23_20a.in ├── PNICO23_20b.in ├── PNICO23_21.in ├── PNICO23_21a.in ├── PNICO23_21b.in ├── PNICO23_22.in ├── PNICO23_22a.in ├── PNICO23_22b.in ├── PNICO23_23.in ├── PNICO23_23a.in ├── PNICO23_23b.in ├── PNICO23_2a.in ├── PNICO23_2b.in ├── PNICO23_3.in ├── PNICO23_3a.in ├── PNICO23_3b.in ├── PNICO23_4.in ├── PNICO23_4a.in ├── PNICO23_4b.in ├── PNICO23_5.in ├── PNICO23_5a.in ├── PNICO23_5b.in ├── PNICO23_6.in ├── PNICO23_6a.in ├── PNICO23_6b.in ├── PNICO23_7.in ├── PNICO23_7a.in ├── PNICO23_7b.in ├── PNICO23_8.in ├── PNICO23_8a.in ├── PNICO23_8b.in ├── PNICO23_9.in ├── PNICO23_9a.in ├── PNICO23_9b.in ├── PX13_h2o_2.in ├── PX13_h2o_2_ts.in ├── PX13_h2o_3.in ├── PX13_h2o_3_ts.in ├── PX13_h2o_5.in ├── PX13_h2o_5_ts.in ├── PX13_h2o_6.in ├── PX13_h2o_6_ts.in ├── PX13_hf_2.in ├── PX13_hf_2_ts.in ├── PX13_hf_3.in ├── PX13_hf_3_ts.in ├── PX13_hf_6.in ├── PX13_hf_6_ts.in ├── PX13_nh3_2.in ├── PX13_nh3_2_ts.in ├── PX13_nh3_3.in ├── PX13_nh3_3_ts.in ├── Pol130_AlF.in ├── Pol130_AlF0+.in ├── Pol130_AlF0-.in ├── Pol130_AlF2+.in ├── Pol130_AlF2-.in ├── Pol130_Ar.in ├── Pol130_Ar0+.in ├── Pol130_Ar0-.in ├── Pol130_BF.in ├── Pol130_BF0+.in ├── Pol130_BF0-.in ├── Pol130_BF2+.in ├── Pol130_BF2-.in ├── Pol130_BH2.in ├── Pol130_BH20+.in ├── Pol130_BH20-.in ├── Pol130_BH21+.in ├── Pol130_BH21-.in ├── Pol130_BH22+.in ├── Pol130_BH22-.in ├── Pol130_BH2Cl.in ├── Pol130_BH2Cl0+.in ├── Pol130_BH2Cl0-.in ├── Pol130_BH2Cl1+.in ├── Pol130_BH2Cl1-.in ├── Pol130_BH2Cl2+.in ├── Pol130_BH2Cl2-.in ├── Pol130_BH2F.in ├── Pol130_BH2F0+.in ├── Pol130_BH2F0-.in ├── Pol130_BH2F1+.in ├── Pol130_BH2F1-.in ├── Pol130_BH2F2+.in ├── Pol130_BH2F2-.in ├── Pol130_BH3.in ├── Pol130_BH30+.in ├── Pol130_BH30-.in ├── Pol130_BH32+.in ├── Pol130_BH32-.in ├── Pol130_BHF2.in ├── Pol130_BHF20+.in ├── Pol130_BHF20-.in ├── Pol130_BHF21+.in ├── Pol130_BHF21-.in ├── Pol130_BHF22+.in ├── Pol130_BHF22-.in ├── Pol130_BO.in ├── Pol130_BO0+.in ├── Pol130_BO0-.in ├── Pol130_BO2+.in ├── Pol130_BO2-.in ├── Pol130_BS.in ├── Pol130_BS0+.in ├── Pol130_BS0-.in ├── Pol130_BS2+.in ├── Pol130_BS2-.in ├── Pol130_Be.in ├── Pol130_Be0+.in ├── Pol130_Be0-.in ├── Pol130_BeH.in ├── Pol130_BeH0+.in ├── Pol130_BeH0-.in ├── Pol130_BeH2+.in ├── Pol130_BeH2-.in ├── Pol130_BeH2.in ├── Pol130_BeH21+.in ├── Pol130_BeH21-.in ├── Pol130_BeH22+.in ├── Pol130_BeH22-.in ├── Pol130_C2H.in ├── Pol130_C2H0+.in ├── Pol130_C2H0-.in ├── Pol130_C2H2+.in ├── Pol130_C2H2-.in ├── Pol130_C2H2.in ├── Pol130_C2H20+.in ├── Pol130_C2H20-.in ├── Pol130_C2H22+.in ├── Pol130_C2H22-.in ├── Pol130_C2H3.in ├── Pol130_C2H30+.in ├── Pol130_C2H30-.in ├── Pol130_C2H31+.in ├── Pol130_C2H31-.in ├── Pol130_C2H32+.in ├── Pol130_C2H32-.in ├── Pol130_C2H4.in ├── Pol130_C2H40+.in ├── Pol130_C2H40-.in ├── Pol130_C2H41+.in ├── Pol130_C2H41-.in ├── Pol130_C2H42+.in ├── Pol130_C2H42-.in ├── Pol130_CH2-t.in ├── Pol130_CH2-t0+.in ├── Pol130_CH2-t0-.in ├── Pol130_CH2-t1+.in ├── Pol130_CH2-t1-.in ├── Pol130_CH2-t2+.in ├── Pol130_CH2-t2-.in ├── Pol130_CH2BH.in ├── Pol130_CH2BH0+.in ├── Pol130_CH2BH0-.in ├── Pol130_CH2BH1+.in ├── Pol130_CH2BH1-.in ├── Pol130_CH2BH2+.in ├── Pol130_CH2BH2-.in ├── Pol130_CH2F.in ├── Pol130_CH2F0+.in ├── Pol130_CH2F0-.in ├── Pol130_CH2F1+.in ├── Pol130_CH2F1-.in ├── Pol130_CH2F2+.in ├── Pol130_CH2F2-.in ├── Pol130_CH2NH.in ├── Pol130_CH2NH0+.in ├── Pol130_CH2NH0-.in ├── Pol130_CH2NH1+.in ├── Pol130_CH2NH1-.in ├── Pol130_CH2NH2+.in ├── Pol130_CH2NH2-.in ├── Pol130_CH2PH.in ├── Pol130_CH2PH0+.in ├── Pol130_CH2PH0-.in ├── Pol130_CH2PH1+.in ├── Pol130_CH2PH1-.in ├── Pol130_CH2PH2+.in ├── Pol130_CH2PH2-.in ├── Pol130_CH3.in ├── Pol130_CH30+.in ├── Pol130_CH30-.in ├── Pol130_CH32+.in ├── Pol130_CH32-.in ├── Pol130_CH3BH2.in ├── Pol130_CH3BH20+.in ├── Pol130_CH3BH20-.in ├── Pol130_CH3BH21+.in ├── Pol130_CH3BH21-.in ├── Pol130_CH3BH22+.in ├── Pol130_CH3BH22-.in ├── Pol130_CH3Cl.in ├── Pol130_CH3Cl0+.in ├── Pol130_CH3Cl0-.in ├── Pol130_CH3Cl2+.in ├── Pol130_CH3Cl2-.in ├── Pol130_CH3F.in ├── Pol130_CH3F0+.in ├── Pol130_CH3F0-.in ├── Pol130_CH3F2+.in ├── Pol130_CH3F2-.in ├── Pol130_CH3NH2.in ├── Pol130_CH3NH20+.in ├── Pol130_CH3NH20-.in ├── Pol130_CH3NH21+.in ├── Pol130_CH3NH21-.in ├── Pol130_CH3NH22+.in ├── Pol130_CH3NH22-.in ├── Pol130_CH3O.in ├── Pol130_CH3O0+.in ├── Pol130_CH3O0-.in ├── Pol130_CH3O2+.in ├── Pol130_CH3O2-.in ├── Pol130_CH3OH.in ├── Pol130_CH3OH0+.in ├── Pol130_CH3OH0-.in ├── Pol130_CH3OH1+.in ├── Pol130_CH3OH1-.in ├── Pol130_CH3OH2+.in ├── Pol130_CH3OH2-.in ├── Pol130_CH3SH.in ├── Pol130_CH3SH0+.in ├── Pol130_CH3SH0-.in ├── Pol130_CH3SH1+.in ├── Pol130_CH3SH1-.in ├── Pol130_CH3SH2+.in ├── Pol130_CH3SH2-.in ├── Pol130_CH4.in ├── Pol130_CH40+.in ├── Pol130_CH40-.in ├── Pol130_CN.in ├── Pol130_CN0+.in ├── Pol130_CN0-.in ├── Pol130_CN2+.in ├── Pol130_CN2-.in ├── Pol130_CO.in ├── Pol130_CO0+.in ├── Pol130_CO0-.in ├── Pol130_CO2+.in ├── Pol130_CO2-.in ├── Pol130_CO2.in ├── Pol130_CO20+.in ├── Pol130_CO20-.in ├── Pol130_CO22+.in ├── Pol130_CO22-.in ├── Pol130_CS.in ├── Pol130_CS0+.in ├── Pol130_CS0-.in ├── Pol130_CS2+.in ├── Pol130_CS2-.in ├── Pol130_CSO.in ├── Pol130_CSO0+.in ├── Pol130_CSO0-.in ├── Pol130_CSO2+.in ├── Pol130_CSO2-.in ├── Pol130_Cl2.in ├── Pol130_Cl20+.in ├── Pol130_Cl20-.in ├── Pol130_Cl22+.in ├── Pol130_Cl22-.in ├── Pol130_ClCN.in ├── Pol130_ClCN0+.in ├── Pol130_ClCN0-.in ├── Pol130_ClCN2+.in ├── Pol130_ClCN2-.in ├── Pol130_ClF.in ├── Pol130_ClF1+.in ├── Pol130_ClF1-.in ├── Pol130_ClF2+.in ├── Pol130_ClF2-.in ├── Pol130_F2.in ├── Pol130_F20+.in ├── Pol130_F20-.in ├── Pol130_F22+.in ├── Pol130_F22-.in ├── Pol130_FCN.in ├── Pol130_FCN0+.in ├── Pol130_FCN0-.in ├── Pol130_FCN2+.in ├── Pol130_FCN2-.in ├── Pol130_FCO.in ├── Pol130_FCO0+.in ├── Pol130_FCO0-.in ├── Pol130_FCO1+.in ├── Pol130_FCO1-.in ├── Pol130_FCO2+.in ├── Pol130_FCO2-.in ├── Pol130_FH-OH.in ├── Pol130_FH-OH0+.in ├── Pol130_FH-OH0-.in ├── Pol130_FH-OH1+.in ├── Pol130_FH-OH1-.in ├── Pol130_FH-OH2+.in ├── Pol130_FH-OH2-.in ├── Pol130_FNO.in ├── Pol130_FNO0+.in ├── Pol130_FNO0-.in ├── Pol130_FNO1+.in ├── Pol130_FNO1-.in ├── Pol130_FNO2+.in ├── Pol130_FNO2-.in ├── Pol130_H.in ├── Pol130_H0+.in ├── Pol130_H0-.in ├── Pol130_H2.in ├── Pol130_H20+.in ├── Pol130_H20-.in ├── Pol130_H22+.in ├── Pol130_H22-.in ├── Pol130_H2CN.in ├── Pol130_H2CN0+.in ├── Pol130_H2CN0-.in ├── Pol130_H2CN1+.in ├── Pol130_H2CN1-.in ├── Pol130_H2CN2+.in ├── Pol130_H2CN2-.in ├── Pol130_H2O-Li.in ├── Pol130_H2O-Li0+.in ├── Pol130_H2O-Li0-.in ├── Pol130_H2O-Li1+.in ├── Pol130_H2O-Li1-.in ├── Pol130_H2O-Li2+.in ├── Pol130_H2O-Li2-.in ├── Pol130_H2O.in ├── Pol130_H2O0+.in ├── Pol130_H2O0-.in ├── Pol130_H2O1+.in ├── Pol130_H2O1-.in ├── Pol130_H2O2+.in ├── Pol130_H2O2-.in ├── Pol130_HBO.in ├── Pol130_HBO0+.in ├── Pol130_HBO0-.in ├── Pol130_HBO2+.in ├── Pol130_HBO2-.in ├── Pol130_HBS.in ├── Pol130_HBS0+.in ├── Pol130_HBS0-.in ├── Pol130_HBS2+.in ├── Pol130_HBS2-.in ├── Pol130_HCCCl.in ├── Pol130_HCCCl0+.in ├── Pol130_HCCCl0-.in ├── Pol130_HCCCl2+.in ├── Pol130_HCCCl2-.in ├── Pol130_HCCF.in ├── Pol130_HCCF0+.in ├── Pol130_HCCF0-.in ├── Pol130_HCCF2+.in ├── Pol130_HCCF2-.in ├── Pol130_HCHO.in ├── Pol130_HCHO0+.in ├── Pol130_HCHO0-.in ├── Pol130_HCHO1+.in ├── Pol130_HCHO1-.in ├── Pol130_HCHO2+.in ├── Pol130_HCHO2-.in ├── Pol130_HCHS.in ├── Pol130_HCHS0+.in ├── Pol130_HCHS0-.in ├── Pol130_HCHS1+.in ├── Pol130_HCHS1-.in ├── Pol130_HCHS2+.in ├── Pol130_HCHS2-.in ├── Pol130_HCN.in ├── Pol130_HCN0+.in ├── Pol130_HCN0-.in ├── Pol130_HCN2+.in ├── Pol130_HCN2-.in ├── Pol130_HCO.in ├── Pol130_HCO0+.in ├── Pol130_HCO0-.in ├── Pol130_HCO1+.in ├── Pol130_HCO1-.in ├── Pol130_HCO2+.in ├── Pol130_HCO2-.in ├── Pol130_HCONH2.in ├── Pol130_HCONH20+.in ├── Pol130_HCONH20-.in ├── Pol130_HCONH21+.in ├── Pol130_HCONH21-.in ├── Pol130_HCONH22+.in ├── Pol130_HCONH22-.in ├── Pol130_HCOOH.in ├── Pol130_HCOOH0+.in ├── Pol130_HCOOH0-.in ├── Pol130_HCOOH1+.in ├── Pol130_HCOOH1-.in ├── Pol130_HCOOH2+.in ├── Pol130_HCOOH2-.in ├── Pol130_HCP.in ├── Pol130_HCP0+.in ├── Pol130_HCP0-.in ├── Pol130_HCP2+.in ├── Pol130_HCP2-.in ├── Pol130_HCl.in ├── Pol130_HCl0+.in ├── Pol130_HCl0-.in ├── Pol130_HCl2+.in ├── Pol130_HCl2-.in ├── Pol130_HF.in ├── Pol130_HF0+.in ├── Pol130_HF0-.in ├── Pol130_HF2+.in ├── Pol130_HF2-.in ├── Pol130_HNC.in ├── Pol130_HNC0+.in ├── Pol130_HNC0-.in ├── Pol130_HNC2+.in ├── Pol130_HNC2-.in ├── Pol130_HNO.in ├── Pol130_HNO0+.in ├── Pol130_HNO0-.in ├── Pol130_HNO1+.in ├── Pol130_HNO1-.in ├── Pol130_HNO2+.in ├── Pol130_HNO2-.in ├── Pol130_HNS.in ├── Pol130_HNS0+.in ├── Pol130_HNS0-.in ├── Pol130_HNS1+.in ├── Pol130_HNS1-.in ├── Pol130_HNS2+.in ├── Pol130_HNS2-.in ├── Pol130_HO2.in ├── Pol130_HO20+.in ├── Pol130_HO20-.in ├── Pol130_HO21+.in ├── Pol130_HO21-.in ├── Pol130_HO22+.in ├── Pol130_HO22-.in ├── Pol130_HOCl.in ├── Pol130_HOCl0+.in ├── Pol130_HOCl0-.in ├── Pol130_HOCl1+.in ├── Pol130_HOCl1-.in ├── Pol130_HOCl2+.in ├── Pol130_HOCl2-.in ├── Pol130_HOF.in ├── Pol130_HOF0+.in ├── Pol130_HOF0-.in ├── Pol130_HOF1+.in ├── Pol130_HOF1-.in ├── Pol130_HOF2+.in ├── Pol130_HOF2-.in ├── Pol130_HOOH.in ├── Pol130_HOOH0+.in ├── Pol130_HOOH0-.in ├── Pol130_HOOH1+.in ├── Pol130_HOOH1-.in ├── Pol130_HOOH2+.in ├── Pol130_HOOH2-.in ├── Pol130_He.in ├── Pol130_He0+.in ├── Pol130_He0-.in ├── Pol130_Li2.in ├── Pol130_Li20+.in ├── Pol130_Li20-.in ├── Pol130_Li22+.in ├── Pol130_Li22-.in ├── Pol130_LiBH4.in ├── Pol130_LiBH40+.in ├── Pol130_LiBH40-.in ├── Pol130_LiBH42+.in ├── Pol130_LiBH42-.in ├── Pol130_LiCN.in ├── Pol130_LiCN0+.in ├── Pol130_LiCN0-.in ├── Pol130_LiCN1+.in ├── Pol130_LiCN1-.in ├── Pol130_LiCN2+.in ├── Pol130_LiCN2-.in ├── Pol130_LiCl.in ├── Pol130_LiCl0+.in ├── Pol130_LiCl0-.in ├── Pol130_LiCl2+.in ├── Pol130_LiCl2-.in ├── Pol130_LiH.in ├── Pol130_LiH0+.in ├── Pol130_LiH0-.in ├── Pol130_LiH2+.in ├── Pol130_LiH2-.in ├── Pol130_Mg.in ├── Pol130_Mg0+.in ├── Pol130_Mg0-.in ├── Pol130_Mg2.in ├── Pol130_Mg20+.in ├── Pol130_Mg20-.in ├── Pol130_Mg22+.in ├── Pol130_Mg22-.in ├── Pol130_N.in ├── Pol130_N0+.in ├── Pol130_N0-.in ├── Pol130_N2.in ├── Pol130_N20+.in ├── Pol130_N20-.in ├── Pol130_N22+.in ├── Pol130_N22-.in ├── Pol130_N2H2.in ├── Pol130_N2H20+.in ├── Pol130_N2H20-.in ├── Pol130_N2H21+.in ├── Pol130_N2H21-.in ├── Pol130_N2H22+.in ├── Pol130_N2H22-.in ├── Pol130_N2H4.in ├── Pol130_N2H40+.in ├── Pol130_N2H40-.in ├── Pol130_N2H41+.in ├── Pol130_N2H41-.in ├── Pol130_N2H42+.in ├── Pol130_N2H42-.in ├── Pol130_NCO.in ├── Pol130_NCO0+.in ├── Pol130_NCO0-.in ├── Pol130_NCO2+.in ├── Pol130_NCO2-.in ├── Pol130_NH.in ├── Pol130_NH0+.in ├── Pol130_NH0-.in ├── Pol130_NH2+.in ├── Pol130_NH2-.in ├── Pol130_NH2.in ├── Pol130_NH20+.in ├── Pol130_NH20-.in ├── Pol130_NH21+.in ├── Pol130_NH21-.in ├── Pol130_NH22+.in ├── Pol130_NH22-.in ├── Pol130_NH2Cl.in ├── Pol130_NH2Cl0+.in ├── Pol130_NH2Cl0-.in ├── Pol130_NH2Cl1+.in ├── Pol130_NH2Cl1-.in ├── Pol130_NH2Cl2+.in ├── Pol130_NH2Cl2-.in ├── Pol130_NH2F.in ├── Pol130_NH2F0+.in ├── Pol130_NH2F0-.in ├── Pol130_NH2F1+.in ├── Pol130_NH2F1-.in ├── Pol130_NH2F2+.in ├── Pol130_NH2F2-.in ├── Pol130_NH2OH.in ├── Pol130_NH2OH0+.in ├── Pol130_NH2OH0-.in ├── Pol130_NH2OH1+.in ├── Pol130_NH2OH1-.in ├── Pol130_NH2OH2+.in ├── Pol130_NH2OH2-.in ├── Pol130_NH3.in ├── Pol130_NH30+.in ├── Pol130_NH30-.in ├── Pol130_NH32+.in ├── Pol130_NH32-.in ├── Pol130_NH3O.in ├── Pol130_NH3O0+.in ├── Pol130_NH3O0-.in ├── Pol130_NH3O2+.in ├── Pol130_NH3O2-.in ├── Pol130_NO.in ├── Pol130_NO0+.in ├── Pol130_NO0-.in ├── Pol130_NO2+.in ├── Pol130_NO2-.in ├── Pol130_NOCl.in ├── Pol130_NOCl0+.in ├── Pol130_NOCl0-.in ├── Pol130_NOCl1+.in ├── Pol130_NOCl1-.in ├── Pol130_NOCl2+.in ├── Pol130_NOCl2-.in ├── Pol130_NP.in ├── Pol130_NP0+.in ├── Pol130_NP0-.in ├── Pol130_NP2+.in ├── Pol130_NP2-.in ├── Pol130_Na.in ├── Pol130_Na0+.in ├── Pol130_Na0-.in ├── Pol130_Na2.in ├── Pol130_Na20+.in ├── Pol130_Na20-.in ├── Pol130_Na22+.in ├── Pol130_Na22-.in ├── Pol130_NaCN.in ├── Pol130_NaCN0+.in ├── Pol130_NaCN0-.in ├── Pol130_NaCN1+.in ├── Pol130_NaCN1-.in ├── Pol130_NaCN2+.in ├── Pol130_NaCN2-.in ├── Pol130_NaCl.in ├── Pol130_NaCl0+.in ├── Pol130_NaCl0-.in ├── Pol130_NaCl2+.in ├── Pol130_NaCl2-.in ├── Pol130_NaH.in ├── Pol130_NaH0+.in ├── Pol130_NaH0-.in ├── Pol130_NaH2+.in ├── Pol130_NaH2-.in ├── Pol130_NaLi.in ├── Pol130_NaLi0+.in ├── Pol130_NaLi0-.in ├── Pol130_NaLi2+.in ├── Pol130_NaLi2-.in ├── Pol130_Ne.in ├── Pol130_Ne0+.in ├── Pol130_Ne0-.in ├── Pol130_O2.in ├── Pol130_O20+.in ├── Pol130_O20-.in ├── Pol130_O22+.in ├── Pol130_O22-.in ├── Pol130_O3.in ├── Pol130_O30+.in ├── Pol130_O30-.in ├── Pol130_O31+.in ├── Pol130_O31-.in ├── Pol130_O32+.in ├── Pol130_O32-.in ├── Pol130_OCl.in ├── Pol130_OCl0+.in ├── Pol130_OCl0-.in ├── Pol130_OCl2+.in ├── Pol130_OCl2-.in ├── Pol130_OCl2.in ├── Pol130_OCl20+.in ├── Pol130_OCl20-.in ├── Pol130_OCl21+.in ├── Pol130_OCl21-.in ├── Pol130_OCl22+.in ├── Pol130_OCl22-.in ├── Pol130_OF.in ├── Pol130_OF0+.in ├── Pol130_OF0-.in ├── Pol130_OF2+.in ├── Pol130_OF2-.in ├── Pol130_OF2.in ├── Pol130_OF20+.in ├── Pol130_OF20-.in ├── Pol130_OF21+.in ├── Pol130_OF21-.in ├── Pol130_OF22+.in ├── Pol130_OF22-.in ├── Pol130_OH.in ├── Pol130_OH2+.in ├── Pol130_OH2-.in ├── Pol130_P.in ├── Pol130_P0+.in ├── Pol130_P0-.in ├── Pol130_P2.in ├── Pol130_P20+.in ├── Pol130_P20-.in ├── Pol130_P22+.in ├── Pol130_P22-.in ├── Pol130_P2H4.in ├── Pol130_P2H40+.in ├── Pol130_P2H40-.in ├── Pol130_P2H41+.in ├── Pol130_P2H41-.in ├── Pol130_P2H42+.in ├── Pol130_P2H42-.in ├── Pol130_PH.in ├── Pol130_PH0+.in ├── Pol130_PH0-.in ├── Pol130_PH2+.in ├── Pol130_PH2-.in ├── Pol130_PH2.in ├── Pol130_PH20+.in ├── Pol130_PH20-.in ├── Pol130_PH21+.in ├── Pol130_PH21-.in ├── Pol130_PH22+.in ├── Pol130_PH22-.in ├── Pol130_PH2OH.in ├── Pol130_PH2OH0+.in ├── Pol130_PH2OH0-.in ├── Pol130_PH2OH1+.in ├── Pol130_PH2OH1-.in ├── Pol130_PH2OH2+.in ├── Pol130_PH2OH2-.in ├── Pol130_PH3.in ├── Pol130_PH30+.in ├── Pol130_PH30-.in ├── Pol130_PH32+.in ├── Pol130_PH32-.in ├── Pol130_PH3O.in ├── Pol130_PH3O0+.in ├── Pol130_PH3O0-.in ├── Pol130_PH3O2+.in ├── Pol130_PH3O2-.in ├── Pol130_PS.in ├── Pol130_PS2+.in ├── Pol130_PS2-.in ├── Pol130_S2.in ├── Pol130_S20+.in ├── Pol130_S20-.in ├── Pol130_S22+.in ├── Pol130_S22-.in ├── Pol130_S2H2.in ├── Pol130_S2H20+.in ├── Pol130_S2H20-.in ├── Pol130_S2H21+.in ├── Pol130_S2H21-.in ├── Pol130_S2H22+.in ├── Pol130_S2H22-.in ├── Pol130_SCl.in ├── Pol130_SCl2+.in ├── Pol130_SCl2-.in ├── Pol130_SCl2.in ├── Pol130_SCl20+.in ├── Pol130_SCl20-.in ├── Pol130_SCl21+.in ├── Pol130_SCl21-.in ├── Pol130_SCl22+.in ├── Pol130_SCl22-.in ├── Pol130_SF.in ├── Pol130_SF2+.in ├── Pol130_SF2-.in ├── Pol130_SF2.in ├── Pol130_SF20+.in ├── Pol130_SF20-.in ├── Pol130_SF21+.in ├── Pol130_SF21-.in ├── Pol130_SF22+.in ├── Pol130_SF22-.in ├── Pol130_SH.in ├── Pol130_SH2+.in ├── Pol130_SH2-.in ├── Pol130_SH2.in ├── Pol130_SH20+.in ├── Pol130_SH20-.in ├── Pol130_SH21+.in ├── Pol130_SH21-.in ├── Pol130_SH22+.in ├── Pol130_SH22-.in ├── Pol130_SO-trip.in ├── Pol130_SO-trip0+.in ├── Pol130_SO-trip0-.in ├── Pol130_SO-trip2+.in ├── Pol130_SO-trip2-.in ├── Pol130_SO2.in ├── Pol130_SO20+.in ├── Pol130_SO20-.in ├── Pol130_SO21+.in ├── Pol130_SO21-.in ├── Pol130_SO22+.in ├── Pol130_SO22-.in ├── Pol130_SiH3.in ├── Pol130_SiH30+.in ├── Pol130_SiH30-.in ├── Pol130_SiH32+.in ├── Pol130_SiH32-.in ├── Pol130_SiH3Cl.in ├── Pol130_SiH3Cl0+.in ├── Pol130_SiH3Cl0-.in ├── Pol130_SiH3Cl2+.in ├── Pol130_SiH3Cl2-.in ├── Pol130_SiH3F.in ├── Pol130_SiH3F0+.in ├── Pol130_SiH3F0-.in ├── Pol130_SiH3F2+.in ├── Pol130_SiH3F2-.in ├── Pol130_SiH4.in ├── Pol130_SiH40+.in ├── Pol130_SiH40-.in ├── Pol130_SiO.in ├── Pol130_SiO0+.in ├── Pol130_SiO0-.in ├── Pol130_SiO2+.in ├── Pol130_SiO2-.in ├── RC21_10e.in ├── RC21_10p1.in ├── RC21_10p2.in ├── RC21_1e.in ├── RC21_1p1.in ├── RC21_1p2.in ├── RC21_1p3.in ├── RC21_2e.in ├── RC21_2p1.in ├── RC21_2p2.in ├── RC21_2p3.in ├── RC21_3e.in ├── RC21_3int1.in ├── RC21_3int2.in ├── RC21_3int3.in ├── RC21_3p1.in ├── RC21_3p2.in ├── RC21_3p3.in ├── RC21_4e.in ├── RC21_4p.in ├── RC21_5e.in ├── RC21_5p.in ├── RC21_6e.in ├── RC21_6int.in ├── RC21_6p1.in ├── RC21_6p3.in ├── RC21_7e.in ├── RC21_7p1.in ├── RC21_7p2.in ├── RC21_7p3.in ├── RC21_7p4.in ├── RC21_7p5.in ├── RC21_7p6.in ├── RC21_8e.in ├── RC21_8p1.in ├── RC21_9e.in ├── RC21_9p1.in ├── RC21_9p2.in ├── RC21_ethylene.in ├── RC21_me.in ├── RC21_pr.in ├── RG10N_Ar.in ├── RG10N_ArAr_10p000.in ├── RG10N_ArAr_12p000.in ├── RG10N_ArAr_14p000.in ├── RG10N_ArAr_16p000.in ├── RG10N_ArAr_20p000.in ├── RG10N_ArAr_2p000.in ├── RG10N_ArAr_2p200.in ├── RG10N_ArAr_2p400.in ├── RG10N_ArAr_2p600.in ├── RG10N_ArAr_2p800.in ├── RG10N_ArAr_3p000.in ├── RG10N_ArAr_3p200.in ├── RG10N_ArAr_3p400.in ├── RG10N_ArAr_3p500.in ├── RG10N_ArAr_3p600.in ├── RG10N_ArAr_3p650.in ├── RG10N_ArAr_3p700.in ├── RG10N_ArAr_3p750.in ├── RG10N_ArAr_3p800.in ├── RG10N_ArAr_3p850.in ├── RG10N_ArAr_3p900.in ├── RG10N_ArAr_4p000.in ├── RG10N_ArAr_4p200.in ├── RG10N_ArAr_4p400.in ├── RG10N_ArAr_4p600.in ├── RG10N_ArAr_4p800.in ├── RG10N_ArAr_5p000.in ├── RG10N_ArAr_5p300.in ├── RG10N_ArAr_5p600.in ├── RG10N_ArAr_6p000.in ├── RG10N_ArAr_6p500.in ├── RG10N_ArAr_7p000.in ├── RG10N_ArAr_8p000.in ├── RG10N_ArKr_10p000.in ├── RG10N_ArKr_12p000.in ├── RG10N_ArKr_15p000.in ├── RG10N_ArKr_2p400.in ├── RG10N_ArKr_2p600.in ├── RG10N_ArKr_2p800.in ├── RG10N_ArKr_3p000.in ├── RG10N_ArKr_3p200.in ├── RG10N_ArKr_3p400.in ├── RG10N_ArKr_3p600.in ├── RG10N_ArKr_3p800.in ├── RG10N_ArKr_4p000.in ├── RG10N_ArKr_4p200.in ├── RG10N_ArKr_4p400.in ├── RG10N_ArKr_4p600.in ├── RG10N_ArKr_4p800.in ├── RG10N_ArKr_5p000.in ├── RG10N_ArKr_5p200.in ├── RG10N_ArKr_5p400.in ├── RG10N_ArKr_5p600.in ├── RG10N_ArKr_5p800.in ├── RG10N_ArKr_6p000.in ├── RG10N_ArKr_6p200.in ├── RG10N_ArKr_6p600.in ├── RG10N_ArKr_6p900.in ├── RG10N_ArKr_7p200.in ├── RG10N_ArKr_7p500.in ├── RG10N_ArKr_8p000.in ├── RG10N_ArKr_8p500.in ├── RG10N_ArKr_9p000.in ├── RG10N_He.in ├── RG10N_HeAr_10p584.in ├── RG10N_HeAr_13p229.in ├── RG10N_HeAr_1p852.in ├── RG10N_HeAr_2p117.in ├── RG10N_HeAr_2p249.in ├── RG10N_HeAr_2p381.in ├── RG10N_HeAr_2p514.in ├── RG10N_HeAr_2p646.in ├── RG10N_HeAr_2p778.in ├── RG10N_HeAr_2p910.in ├── RG10N_HeAr_3p043.in ├── RG10N_HeAr_3p175.in ├── RG10N_HeAr_3p307.in ├── RG10N_HeAr_3p440.in ├── RG10N_HeAr_3p572.in ├── RG10N_HeAr_3p704.in ├── RG10N_HeAr_3p969.in ├── RG10N_HeAr_4p233.in ├── RG10N_HeAr_4p498.in ├── RG10N_HeAr_4p763.in ├── RG10N_HeAr_5p027.in ├── RG10N_HeAr_5p292.in ├── RG10N_HeAr_5p821.in ├── RG10N_HeAr_6p350.in ├── RG10N_HeAr_6p879.in ├── RG10N_HeAr_7p408.in ├── RG10N_HeAr_8p467.in ├── RG10N_HeAr_9p525.in ├── RG10N_HeHe_1p588.in ├── RG10N_HeHe_2p117.in ├── RG10N_HeHe_2p646.in ├── RG10N_HeHe_2p963.in ├── RG10N_HeHe_3p175.in ├── RG10N_HeHe_3p704.in ├── RG10N_HeHe_4p763.in ├── RG10N_HeKr_1p300.in ├── RG10N_HeKr_1p500.in ├── RG10N_HeKr_1p700.in ├── RG10N_HeKr_1p900.in ├── RG10N_HeKr_2p100.in ├── RG10N_HeKr_2p300.in ├── RG10N_HeKr_2p500.in ├── RG10N_HeKr_2p700.in ├── RG10N_HeKr_2p900.in ├── RG10N_HeKr_3p000.in ├── RG10N_HeKr_3p100.in ├── RG10N_HeKr_3p200.in ├── RG10N_HeKr_3p300.in ├── RG10N_HeKr_3p400.in ├── RG10N_HeKr_3p500.in ├── RG10N_HeKr_3p600.in ├── RG10N_HeKr_3p700.in ├── RG10N_HeKr_3p800.in ├── RG10N_HeKr_3p900.in ├── RG10N_HeKr_4p000.in ├── RG10N_HeKr_4p100.in ├── RG10N_HeKr_4p200.in ├── RG10N_HeKr_4p300.in ├── RG10N_HeKr_4p400.in ├── RG10N_HeKr_4p500.in ├── RG10N_HeKr_4p700.in ├── RG10N_HeKr_4p900.in ├── RG10N_HeKr_5p200.in ├── RG10N_HeKr_5p500.in ├── RG10N_HeKr_6p000.in ├── RG10N_HeKr_6p500.in ├── RG10N_HeKr_7p000.in ├── RG10N_HeKr_8p000.in ├── RG10N_HeKr_9p000.in ├── RG10N_HeNe_10p054.in ├── RG10N_HeNe_10p584.in ├── RG10N_HeNe_1p984.in ├── RG10N_HeNe_2p249.in ├── RG10N_HeNe_2p514.in ├── RG10N_HeNe_2p646.in ├── RG10N_HeNe_2p778.in ├── RG10N_HeNe_2p910.in ├── RG10N_HeNe_2p990.in ├── RG10N_HeNe_3p043.in ├── RG10N_HeNe_3p096.in ├── RG10N_HeNe_3p175.in ├── RG10N_HeNe_3p440.in ├── RG10N_HeNe_3p704.in ├── RG10N_HeNe_3p969.in ├── RG10N_HeNe_4p233.in ├── RG10N_HeNe_4p763.in ├── RG10N_HeNe_5p292.in ├── RG10N_HeNe_6p350.in ├── RG10N_HeNe_7p408.in ├── RG10N_HeNe_8p467.in ├── RG10N_HeNe_8p996.in ├── RG10N_HeNe_9p525.in ├── RG10N_Kr.in ├── RG10N_KrKr_10p000.in ├── RG10N_KrKr_12p000.in ├── RG10N_KrKr_15p000.in ├── RG10N_KrKr_2p200.in ├── RG10N_KrKr_2p400.in ├── RG10N_KrKr_2p600.in ├── RG10N_KrKr_2p800.in ├── RG10N_KrKr_3p000.in ├── RG10N_KrKr_3p200.in ├── RG10N_KrKr_3p300.in ├── RG10N_KrKr_3p400.in ├── RG10N_KrKr_3p500.in ├── RG10N_KrKr_3p600.in ├── RG10N_KrKr_3p700.in ├── RG10N_KrKr_3p800.in ├── RG10N_KrKr_3p900.in ├── RG10N_KrKr_4p000.in ├── RG10N_KrKr_4p100.in ├── RG10N_KrKr_4p200.in ├── RG10N_KrKr_4p300.in ├── RG10N_KrKr_4p400.in ├── RG10N_KrKr_4p500.in ├── RG10N_KrKr_4p600.in ├── RG10N_KrKr_4p700.in ├── RG10N_KrKr_4p800.in ├── RG10N_KrKr_5p000.in ├── RG10N_KrKr_5p200.in ├── RG10N_KrKr_5p400.in ├── RG10N_KrKr_5p600.in ├── RG10N_KrKr_5p900.in ├── RG10N_KrKr_6p200.in ├── RG10N_KrKr_6p500.in ├── RG10N_KrKr_7p000.in ├── RG10N_KrKr_7p500.in ├── RG10N_KrKr_8p000.in ├── RG10N_KrKr_9p000.in ├── RG10N_Ne.in ├── RG10N_NeAr_10p054.in ├── RG10N_NeAr_10p584.in ├── RG10N_NeAr_2p514.in ├── RG10N_NeAr_2p778.in ├── RG10N_NeAr_3p043.in ├── RG10N_NeAr_3p175.in ├── RG10N_NeAr_3p307.in ├── RG10N_NeAr_3p440.in ├── RG10N_NeAr_3p519.in ├── RG10N_NeAr_3p572.in ├── RG10N_NeAr_3p704.in ├── RG10N_NeAr_3p969.in ├── RG10N_NeAr_4p233.in ├── RG10N_NeAr_4p498.in ├── RG10N_NeAr_5p027.in ├── RG10N_NeAr_5p556.in ├── RG10N_NeAr_6p086.in ├── RG10N_NeAr_6p879.in ├── RG10N_NeAr_7p938.in ├── RG10N_NeAr_8p467.in ├── RG10N_NeAr_8p996.in ├── RG10N_NeAr_9p525.in ├── RG10N_NeKr_10p000.in ├── RG10N_NeKr_12p000.in ├── RG10N_NeKr_15p000.in ├── RG10N_NeKr_2p400.in ├── RG10N_NeKr_2p600.in ├── RG10N_NeKr_2p800.in ├── RG10N_NeKr_3p000.in ├── RG10N_NeKr_3p200.in ├── RG10N_NeKr_3p400.in ├── RG10N_NeKr_3p600.in ├── RG10N_NeKr_3p800.in ├── RG10N_NeKr_4p000.in ├── RG10N_NeKr_4p200.in ├── RG10N_NeKr_4p400.in ├── RG10N_NeKr_4p600.in ├── RG10N_NeKr_4p800.in ├── RG10N_NeKr_5p000.in ├── RG10N_NeKr_5p200.in ├── RG10N_NeKr_5p400.in ├── RG10N_NeKr_5p600.in ├── RG10N_NeKr_5p800.in ├── RG10N_NeKr_6p000.in ├── RG10N_NeKr_6p200.in ├── RG10N_NeKr_6p600.in ├── RG10N_NeKr_6p900.in ├── RG10N_NeKr_7p200.in ├── RG10N_NeKr_7p500.in ├── RG10N_NeKr_8p000.in ├── RG10N_NeKr_8p500.in ├── RG10N_NeKr_9p000.in ├── RG10N_NeNe_1p400.in ├── RG10N_NeNe_1p600.in ├── RG10N_NeNe_1p800.in ├── RG10N_NeNe_2p000.in ├── RG10N_NeNe_2p200.in ├── RG10N_NeNe_2p400.in ├── RG10N_NeNe_2p500.in ├── RG10N_NeNe_2p600.in ├── RG10N_NeNe_2p700.in ├── RG10N_NeNe_2p800.in ├── RG10N_NeNe_2p900.in ├── RG10N_NeNe_3p000.in ├── RG10N_NeNe_3p100.in ├── RG10N_NeNe_3p200.in ├── RG10N_NeNe_3p300.in ├── RG10N_NeNe_3p400.in ├── RG10N_NeNe_3p500.in ├── RG10N_NeNe_3p600.in ├── RG10N_NeNe_3p700.in ├── RG10N_NeNe_3p800.in ├── RG10N_NeNe_4p000.in ├── RG10N_NeNe_4p200.in ├── RG10N_NeNe_4p400.in ├── RG10N_NeNe_4p600.in ├── RG10N_NeNe_4p800.in ├── RG10N_NeNe_5p000.in ├── RG10N_NeNe_5p200.in ├── RG10N_NeNe_5p600.in ├── RG10N_NeNe_6p000.in ├── RG10N_NeNe_6p500.in ├── RG10N_NeNe_7p000.in ├── RG10N_NeNe_8p000.in ├── RG18_ar.in ├── RG18_ar2.in ├── RG18_ar3.in ├── RG18_ar4.in ├── RG18_bz.in ├── RG18_bzAr.in ├── RG18_bzNe.in ├── RG18_c2h2.in ├── RG18_c2h2Ar.in ├── RG18_c2h2Ne.in ├── RG18_c2h6.in ├── RG18_c2h6Ar.in ├── RG18_c2h6Ne.in ├── RG18_hf.in ├── RG18_hfAr.in ├── RG18_hfKr.in ├── RG18_hfNe.in ├── RG18_kr.in ├── RG18_kr2.in ├── RG18_kr3.in ├── RG18_ne.in ├── RG18_ne2.in ├── RG18_ne3.in ├── RG18_ne4.in ├── RG18_ne6.in ├── ROST61_m1.in ├── ROST61_m10.in ├── ROST61_m100.in ├── ROST61_m101.in ├── ROST61_m102.in ├── ROST61_m103.in ├── ROST61_m104.in ├── ROST61_m105.in ├── ROST61_m106.in ├── ROST61_m107.in ├── ROST61_m108.in ├── ROST61_m109.in ├── ROST61_m11.in ├── ROST61_m110.in ├── ROST61_m111.in ├── ROST61_m112.in ├── ROST61_m113.in ├── ROST61_m114.in ├── ROST61_m115.in ├── ROST61_m116.in ├── ROST61_m117.in ├── ROST61_m118.in ├── ROST61_m119.in ├── ROST61_m12.in ├── ROST61_m120.in ├── ROST61_m121.in ├── ROST61_m122.in ├── ROST61_m123.in ├── ROST61_m124.in ├── ROST61_m125.in ├── ROST61_m126.in ├── ROST61_m127.in ├── ROST61_m128.in ├── ROST61_m129.in ├── ROST61_m13.in ├── ROST61_m130.in ├── ROST61_m131.in ├── ROST61_m132.in ├── ROST61_m133.in ├── ROST61_m134.in ├── ROST61_m135.in ├── ROST61_m136.in ├── ROST61_m137.in ├── ROST61_m138.in ├── ROST61_m139.in ├── ROST61_m14.in ├── ROST61_m140.in ├── ROST61_m141.in ├── ROST61_m142.in ├── ROST61_m143.in ├── ROST61_m144.in ├── ROST61_m145.in ├── ROST61_m146.in ├── ROST61_m147.in ├── ROST61_m148.in ├── ROST61_m149.in ├── ROST61_m15.in ├── ROST61_m150.in ├── ROST61_m16.in ├── ROST61_m17.in ├── ROST61_m18.in ├── ROST61_m19.in ├── ROST61_m2.in ├── ROST61_m20.in ├── ROST61_m21.in ├── ROST61_m22.in ├── ROST61_m23.in ├── ROST61_m24.in ├── ROST61_m25.in ├── ROST61_m26.in ├── ROST61_m27.in ├── ROST61_m28.in ├── ROST61_m29.in ├── ROST61_m3.in ├── ROST61_m30.in ├── ROST61_m31.in ├── ROST61_m32.in ├── ROST61_m33.in ├── ROST61_m34.in ├── ROST61_m35.in ├── ROST61_m36.in ├── ROST61_m37.in ├── ROST61_m38.in ├── ROST61_m39.in ├── ROST61_m4.in ├── ROST61_m40.in ├── ROST61_m41.in ├── ROST61_m42.in ├── ROST61_m43.in ├── ROST61_m44.in ├── ROST61_m45.in ├── ROST61_m46.in ├── ROST61_m47.in ├── ROST61_m48.in ├── ROST61_m49.in ├── ROST61_m5.in ├── ROST61_m50.in ├── ROST61_m51.in ├── ROST61_m52.in ├── ROST61_m53.in ├── ROST61_m54.in ├── ROST61_m55.in ├── ROST61_m56.in ├── ROST61_m57.in ├── ROST61_m58.in ├── ROST61_m59.in ├── ROST61_m6.in ├── ROST61_m60.in ├── ROST61_m61.in ├── ROST61_m62.in ├── ROST61_m63.in ├── ROST61_m64.in ├── ROST61_m65.in ├── ROST61_m66.in ├── ROST61_m67.in ├── ROST61_m68.in ├── ROST61_m69.in ├── ROST61_m7.in ├── ROST61_m70.in ├── ROST61_m71.in ├── ROST61_m72.in ├── ROST61_m73.in ├── ROST61_m74.in ├── ROST61_m75.in ├── ROST61_m76.in ├── ROST61_m77.in ├── ROST61_m78.in ├── ROST61_m79.in ├── ROST61_m8.in ├── ROST61_m80.in ├── ROST61_m81.in ├── ROST61_m82.in ├── ROST61_m83.in ├── ROST61_m84.in ├── ROST61_m85.in ├── ROST61_m86.in ├── ROST61_m87.in ├── ROST61_m88.in ├── ROST61_m89.in ├── ROST61_m9.in ├── ROST61_m90.in ├── ROST61_m91.in ├── ROST61_m92.in ├── ROST61_m93.in ├── ROST61_m94.in ├── ROST61_m95.in ├── ROST61_m96.in ├── ROST61_m97.in ├── ROST61_m98.in ├── ROST61_m99.in ├── RSE43_E1.in ├── RSE43_E10.in ├── RSE43_E11.in ├── RSE43_E12.in ├── RSE43_E13.in ├── RSE43_E15.in ├── RSE43_E16.in ├── RSE43_E17.in ├── RSE43_E18.in ├── RSE43_E19.in ├── RSE43_E2.in ├── RSE43_E20.in ├── RSE43_E21.in ├── RSE43_E22.in ├── RSE43_E23.in ├── RSE43_E24.in ├── RSE43_E25.in ├── RSE43_E26.in ├── RSE43_E27.in ├── RSE43_E28.in ├── RSE43_E29.in ├── RSE43_E3.in ├── RSE43_E30.in ├── RSE43_E31.in ├── RSE43_E32.in ├── RSE43_E33.in ├── RSE43_E34.in ├── RSE43_E35.in ├── RSE43_E36.in ├── RSE43_E37.in ├── RSE43_E38.in ├── RSE43_E39.in ├── RSE43_E4.in ├── RSE43_E40.in ├── RSE43_E41.in ├── RSE43_E42.in ├── RSE43_E43.in ├── RSE43_E44.in ├── RSE43_E45.in ├── RSE43_E5.in ├── RSE43_E6.in ├── RSE43_E7.in ├── RSE43_E8.in ├── RSE43_E9.in ├── RSE43_P1.in ├── RSE43_P10.in ├── RSE43_P11.in ├── RSE43_P12.in ├── RSE43_P13.in ├── RSE43_P15.in ├── RSE43_P16.in ├── RSE43_P17.in ├── RSE43_P18.in ├── RSE43_P19.in ├── RSE43_P2.in ├── RSE43_P20.in ├── RSE43_P21.in ├── RSE43_P22.in ├── RSE43_P23.in ├── RSE43_P24.in ├── RSE43_P25.in ├── RSE43_P26.in ├── RSE43_P27.in ├── RSE43_P28.in ├── RSE43_P29.in ├── RSE43_P3.in ├── RSE43_P30.in ├── RSE43_P31.in ├── RSE43_P32.in ├── RSE43_P33.in ├── RSE43_P34.in ├── RSE43_P35.in ├── RSE43_P36.in ├── RSE43_P37.in ├── RSE43_P38.in ├── RSE43_P39.in ├── RSE43_P4.in ├── RSE43_P40.in ├── RSE43_P41.in ├── RSE43_P42.in ├── RSE43_P43.in ├── RSE43_P44.in ├── RSE43_P45.in ├── RSE43_P5.in ├── RSE43_P6.in ├── RSE43_P7.in ├── RSE43_P8.in ├── RSE43_P9.in ├── S22_01.in ├── S22_01a.in ├── S22_02.in ├── S22_02a.in ├── S22_02b.in ├── S22_03.in ├── S22_03a.in ├── S22_04.in ├── S22_04a.in ├── S22_05.in ├── S22_05a.in ├── S22_06.in ├── S22_06a.in ├── S22_06b.in ├── S22_07.in ├── S22_07a.in ├── S22_07b.in ├── S22_08.in ├── S22_08a.in ├── S22_09.in ├── S22_09a.in ├── S22_10.in ├── S22_10a.in ├── S22_10b.in ├── S22_11.in ├── S22_11a.in ├── S22_12.in ├── S22_12a.in ├── S22_13.in ├── S22_13a.in ├── S22_14.in ├── S22_14a.in ├── S22_14b.in ├── S22_15.in ├── S22_15a.in ├── S22_15b.in ├── S22_16.in ├── S22_16a.in ├── S22_16b.in ├── S22_17.in ├── S22_17a.in ├── S22_17b.in ├── S22_18.in ├── S22_18a.in ├── S22_18b.in ├── S22_19.in ├── S22_19a.in ├── S22_19b.in ├── S22_20.in ├── S22_20a.in ├── S22_20b.in ├── S22_21.in ├── S22_21a.in ├── S22_21b.in ├── S22_22.in ├── S22_22a.in ├── S22_22b.in ├── SCONF_C1.in ├── SCONF_C10.in ├── SCONF_C11.in ├── SCONF_C12.in ├── SCONF_C13.in ├── SCONF_C14.in ├── SCONF_C15.in ├── SCONF_C2.in ├── SCONF_C3.in ├── SCONF_C4.in ├── SCONF_C5.in ├── SCONF_C6.in ├── SCONF_C7.in ├── SCONF_C8.in ├── SCONF_C9.in ├── SCONF_G1.in ├── SCONF_G2.in ├── SCONF_G3.in ├── SCONF_G4.in ├── SIE4x4_h.in ├── SIE4x4_h2+_1_0.in ├── SIE4x4_h2+_1_25.in ├── SIE4x4_h2+_1_5.in ├── SIE4x4_h2+_1_75.in ├── SIE4x4_h2o+.in ├── SIE4x4_h2o.in ├── SIE4x4_h2o2+_1_0.in ├── SIE4x4_h2o2+_1_25.in ├── SIE4x4_h2o2+_1_5.in ├── SIE4x4_h2o2+_1_75.in ├── SIE4x4_he+.in ├── SIE4x4_he.in ├── SIE4x4_he2+_1_0.in ├── SIE4x4_he2+_1_25.in ├── SIE4x4_he2+_1_5.in ├── SIE4x4_he2+_1_75.in ├── SIE4x4_nh3+.in ├── SIE4x4_nh3.in ├── SIE4x4_nh32+_1_0.in ├── SIE4x4_nh32+_1_25.in ├── SIE4x4_nh32+_1_5.in ├── SIE4x4_nh32+_1_75.in ├── T144_0056.in ├── T144_00560+.in ├── T144_00560-.in ├── T144_00561+.in ├── T144_00561-.in ├── T144_00562+.in ├── T144_00562-.in ├── T144_0093.in ├── T144_00930+.in ├── T144_00930-.in ├── T144_00931+.in ├── T144_00931-.in ├── T144_00932+.in ├── T144_00932-.in ├── T144_0097.in ├── T144_00970+.in ├── T144_00970-.in ├── T144_00971+.in ├── T144_00971-.in ├── T144_00972+.in ├── T144_00972-.in ├── T144_0103.in ├── T144_01030+.in ├── T144_01030-.in ├── T144_01031+.in ├── T144_01031-.in ├── T144_01032+.in ├── T144_01032-.in ├── T144_0112.in ├── T144_01120+.in ├── T144_01120-.in ├── T144_01121+.in ├── T144_01121-.in ├── T144_01122+.in ├── T144_01122-.in ├── T144_0117.in ├── T144_01170+.in ├── T144_01170-.in ├── T144_01171+.in ├── T144_01171-.in ├── T144_01172+.in ├── T144_01172-.in ├── T144_0119.in ├── T144_01190+.in ├── T144_01190-.in ├── T144_01191+.in ├── T144_01191-.in ├── T144_01192+.in ├── T144_01192-.in ├── T144_0129.in ├── T144_01290+.in ├── T144_01290-.in ├── T144_01291+.in ├── T144_01291-.in ├── T144_01292+.in ├── T144_01292-.in ├── T144_0142.in ├── T144_01420+.in ├── T144_01420-.in ├── T144_01421+.in ├── T144_01421-.in ├── T144_01422+.in ├── T144_01422-.in ├── T144_0158.in ├── T144_01580+.in ├── T144_01580-.in ├── T144_01582+.in ├── T144_01582-.in ├── T144_0159.in ├── T144_01590+.in ├── T144_01590-.in ├── T144_01591+.in ├── T144_01591-.in ├── T144_01592+.in ├── T144_01592-.in ├── T144_0205.in ├── T144_02050+.in ├── T144_02050-.in ├── T144_02052+.in ├── T144_02052-.in ├── T144_0213.in ├── T144_02130+.in ├── T144_02130-.in ├── T144_02131+.in ├── T144_02131-.in ├── T144_02132+.in ├── T144_02132-.in ├── T144_0223.in ├── T144_02230+.in ├── T144_02230-.in ├── T144_02231+.in ├── T144_02231-.in ├── T144_02232+.in ├── T144_02232-.in ├── T144_0245.in ├── T144_02450+.in ├── T144_02450-.in ├── T144_02451+.in ├── T144_02451-.in ├── T144_02452+.in ├── T144_02452-.in ├── T144_0256.in ├── T144_02560+.in ├── T144_02560-.in ├── T144_02561+.in ├── T144_02561-.in ├── T144_02562+.in ├── T144_02562-.in ├── T144_0257.in ├── T144_02570+.in ├── T144_02570-.in ├── T144_02571+.in ├── T144_02571-.in ├── T144_02572+.in ├── T144_02572-.in ├── T144_0267.in ├── T144_02670+.in ├── T144_02670-.in ├── T144_02671+.in ├── T144_02671-.in ├── T144_02672+.in ├── T144_02672-.in ├── T144_0276.in ├── T144_02760+.in ├── T144_02760-.in ├── T144_02761+.in ├── T144_02761-.in ├── T144_02762+.in ├── T144_02762-.in ├── T144_0281.in ├── T144_02810+.in ├── T144_02810-.in ├── T144_02811+.in ├── T144_02811-.in ├── T144_02812+.in ├── T144_02812-.in ├── T144_0282.in ├── T144_02820+.in ├── T144_02820-.in ├── T144_02821+.in ├── T144_02821-.in ├── T144_02822+.in ├── T144_02822-.in ├── T144_0287.in ├── T144_02870+.in ├── T144_02870-.in ├── T144_02871+.in ├── T144_02871-.in ├── T144_02872+.in ├── T144_02872-.in ├── T144_0306.in ├── T144_03060+.in ├── T144_03060-.in ├── T144_03061+.in ├── T144_03061-.in ├── T144_03062+.in ├── T144_03062-.in ├── T144_0318.in ├── T144_03180+.in ├── T144_03180-.in ├── T144_03181+.in ├── T144_03181-.in ├── T144_03182+.in ├── T144_03182-.in ├── T144_0332.in ├── T144_03320+.in ├── T144_03320-.in ├── T144_03321+.in ├── T144_03321-.in ├── T144_03322+.in ├── T144_03322-.in ├── T144_0336.in ├── T144_03360+.in ├── T144_03360-.in ├── T144_03361+.in ├── T144_03361-.in ├── T144_03362+.in ├── T144_03362-.in ├── T144_0342.in ├── T144_03420+.in ├── T144_03420-.in ├── T144_03421+.in ├── T144_03421-.in ├── T144_03422+.in ├── T144_03422-.in ├── T144_0346.in ├── T144_03460+.in ├── T144_03460-.in ├── T144_03461+.in ├── T144_03461-.in ├── T144_03462+.in ├── T144_03462-.in ├── T144_0351.in ├── T144_03510+.in ├── T144_03510-.in ├── T144_03511+.in ├── T144_03511-.in ├── T144_03512+.in ├── T144_03512-.in ├── T144_0353.in ├── T144_03530+.in ├── T144_03530-.in ├── T144_03532+.in ├── T144_03532-.in ├── T144_0361.in ├── T144_03610+.in ├── T144_03610-.in ├── T144_03611+.in ├── T144_03611-.in ├── T144_03612+.in ├── T144_03612-.in ├── T144_0381.in ├── T144_03810+.in ├── T144_03810-.in ├── T144_03812+.in ├── T144_03812-.in ├── T144_0390.in ├── T144_03900+.in ├── T144_03900-.in ├── T144_03901+.in ├── T144_03901-.in ├── T144_03902+.in ├── T144_03902-.in ├── T144_0393.in ├── T144_03930+.in ├── T144_03930-.in ├── T144_03931+.in ├── T144_03931-.in ├── T144_03932+.in ├── T144_03932-.in ├── T144_0397.in ├── T144_03970+.in ├── T144_03970-.in ├── T144_03971+.in ├── T144_03971-.in ├── T144_03972+.in ├── T144_03972-.in ├── T144_0399.in ├── T144_03990+.in ├── T144_03990-.in ├── T144_03991+.in ├── T144_03991-.in ├── T144_03992+.in ├── T144_03992-.in ├── T144_0425.in ├── T144_04250+.in ├── T144_04250-.in ├── T144_04251+.in ├── T144_04251-.in ├── T144_04252+.in ├── T144_04252-.in ├── T144_0438.in ├── T144_04380+.in ├── T144_04380-.in ├── T144_04381+.in ├── T144_04381-.in ├── T144_04382+.in ├── T144_04382-.in ├── T144_0445.in ├── T144_04450+.in ├── T144_04450-.in ├── T144_04451+.in ├── T144_04451-.in ├── T144_04452+.in ├── T144_04452-.in ├── T144_0460.in ├── T144_04600+.in ├── T144_04600-.in ├── T144_04601+.in ├── T144_04601-.in ├── T144_04602+.in ├── T144_04602-.in ├── T144_0470.in ├── T144_04700+.in ├── T144_04700-.in ├── T144_04701+.in ├── T144_04701-.in ├── T144_04702+.in ├── T144_04702-.in ├── T144_0489.in ├── T144_04890+.in ├── T144_04890-.in ├── T144_04891+.in ├── T144_04891-.in ├── T144_04892+.in ├── T144_04892-.in ├── T144_0529.in ├── T144_05290+.in ├── T144_05290-.in ├── T144_05291+.in ├── T144_05291-.in ├── T144_05292+.in ├── T144_05292-.in ├── T144_0533.in ├── T144_05330+.in ├── T144_05330-.in ├── T144_05331+.in ├── T144_05331-.in ├── T144_05332+.in ├── T144_05332-.in ├── T144_0556.in ├── T144_05560+.in ├── T144_05560-.in ├── T144_05561+.in ├── T144_05561-.in ├── T144_05562+.in ├── T144_05562-.in ├── T144_0580.in ├── T144_05800+.in ├── T144_05800-.in ├── T144_05801+.in ├── T144_05801-.in ├── T144_05802+.in ├── T144_05802-.in ├── T144_0599.in ├── T144_05990+.in ├── T144_05990-.in ├── T144_05991+.in ├── T144_05991-.in ├── T144_05992+.in ├── T144_05992-.in ├── T144_0617.in ├── T144_06170+.in ├── T144_06170-.in ├── T144_06171+.in ├── T144_06171-.in ├── T144_06172+.in ├── T144_06172-.in ├── T144_0654.in ├── T144_06540+.in ├── T144_06540-.in ├── T144_06541+.in ├── T144_06541-.in ├── T144_06542+.in ├── T144_06542-.in ├── T144_0655.in ├── T144_06550+.in ├── T144_06550-.in ├── T144_06551+.in ├── T144_06551-.in ├── T144_06552+.in ├── T144_06552-.in ├── T144_0670.in ├── T144_06700+.in ├── T144_06700-.in ├── T144_06702+.in ├── T144_06702-.in ├── T144_0710.in ├── T144_07100+.in ├── T144_07100-.in ├── T144_07101+.in ├── T144_07101-.in ├── T144_07102+.in ├── T144_07102-.in ├── T144_0722.in ├── T144_07220+.in ├── T144_07220-.in ├── T144_07221+.in ├── T144_07221-.in ├── T144_07222+.in ├── T144_07222-.in ├── T144_0753.in ├── T144_07530+.in ├── T144_07530-.in ├── T144_07531+.in ├── T144_07531-.in ├── T144_07532+.in ├── T144_07532-.in ├── T144_0757.in ├── T144_07570+.in ├── T144_07570-.in ├── T144_07571+.in ├── T144_07571-.in ├── T144_07572+.in ├── T144_07572-.in ├── T144_0761.in ├── T144_07610+.in ├── T144_07610-.in ├── T144_07611+.in ├── T144_07611-.in ├── T144_07612+.in ├── T144_07612-.in ├── T144_0762.in ├── T144_07620+.in ├── T144_07620-.in ├── T144_07621+.in ├── T144_07621-.in ├── T144_07622+.in ├── T144_07622-.in ├── T144_0765.in ├── T144_07650+.in ├── T144_07650-.in ├── T144_07651+.in ├── T144_07651-.in ├── T144_07652+.in ├── T144_07652-.in ├── T144_0767.in ├── T144_07670+.in ├── T144_07670-.in ├── T144_07671+.in ├── T144_07671-.in ├── T144_07672+.in ├── T144_07672-.in ├── T144_0768.in ├── T144_07680+.in ├── T144_07680-.in ├── T144_07681+.in ├── T144_07681-.in ├── T144_07682+.in ├── T144_07682-.in ├── T144_0769.in ├── T144_07690+.in ├── T144_07690-.in ├── T144_07691+.in ├── T144_07691-.in ├── T144_07692+.in ├── T144_07692-.in ├── T144_0818.in ├── T144_08180+.in ├── T144_08180-.in ├── T144_08181+.in ├── T144_08181-.in ├── T144_08182+.in ├── T144_08182-.in ├── T144_0820.in ├── T144_08200+.in ├── T144_08200-.in ├── T144_08201+.in ├── T144_08201-.in ├── T144_08202+.in ├── T144_08202-.in ├── T144_0833.in ├── T144_08330+.in ├── T144_08330-.in ├── T144_08331+.in ├── T144_08331-.in ├── T144_08332+.in ├── T144_08332-.in ├── T144_0841.in ├── T144_08410+.in ├── T144_08410-.in ├── T144_08411+.in ├── T144_08411-.in ├── T144_08412+.in ├── T144_08412-.in ├── T144_0843.in ├── T144_08430+.in ├── T144_08430-.in ├── T144_08431+.in ├── T144_08431-.in ├── T144_08432+.in ├── T144_08432-.in ├── T144_0846.in ├── T144_08460+.in ├── T144_08460-.in ├── T144_08461+.in ├── T144_08461-.in ├── T144_08462+.in ├── T144_08462-.in ├── T144_0847.in ├── T144_08470+.in ├── T144_08470-.in ├── T144_08471+.in ├── T144_08471-.in ├── T144_08472+.in ├── T144_08472-.in ├── T144_0852.in ├── T144_08520+.in ├── T144_08520-.in ├── T144_08521+.in ├── T144_08521-.in ├── T144_08522+.in ├── T144_08522-.in ├── T144_0884.in ├── T144_08840+.in ├── T144_08840-.in ├── T144_08841+.in ├── T144_08841-.in ├── T144_08842+.in ├── T144_08842-.in ├── T144_0886.in ├── T144_08860+.in ├── T144_08860-.in ├── T144_08861+.in ├── T144_08861-.in ├── T144_08862+.in ├── T144_08862-.in ├── T144_0890.in ├── T144_08900+.in ├── T144_08900-.in ├── T144_08901+.in ├── T144_08901-.in ├── T144_08902+.in ├── T144_08902-.in ├── T144_0909.in ├── T144_09090+.in ├── T144_09090-.in ├── T144_09091+.in ├── T144_09091-.in ├── T144_09092+.in ├── T144_09092-.in ├── T144_0936.in ├── T144_09360+.in ├── T144_09360-.in ├── T144_09361+.in ├── T144_09361-.in ├── T144_09362+.in ├── T144_09362-.in ├── T144_0969.in ├── T144_09690+.in ├── T144_09690-.in ├── T144_09691+.in ├── T144_09691-.in ├── T144_09692+.in ├── T144_09692-.in ├── T144_0974.in ├── T144_09740+.in ├── T144_09740-.in ├── T144_09741+.in ├── T144_09741-.in ├── T144_09742+.in ├── T144_09742-.in ├── T144_0976.in ├── T144_09760+.in ├── T144_09760-.in ├── T144_09761+.in ├── T144_09761-.in ├── T144_09762+.in ├── T144_09762-.in ├── T144_0987.in ├── T144_09870+.in ├── T144_09870-.in ├── T144_09871+.in ├── T144_09871-.in ├── T144_09872+.in ├── T144_09872-.in ├── T144_0989.in ├── T144_09890+.in ├── T144_09890-.in ├── T144_09892+.in ├── T144_09892-.in ├── T144_0998.in ├── T144_09980+.in ├── T144_09980-.in ├── T144_09981+.in ├── T144_09981-.in ├── T144_09982+.in ├── T144_09982-.in ├── T144_1003.in ├── T144_10030+.in ├── T144_10030-.in ├── T144_10031+.in ├── T144_10031-.in ├── T144_10032+.in ├── T144_10032-.in ├── T144_1014.in ├── T144_10140+.in ├── T144_10140-.in ├── T144_10141+.in ├── T144_10141-.in ├── T144_10142+.in ├── T144_10142-.in ├── T144_1019.in ├── T144_10190+.in ├── T144_10190-.in ├── T144_10191+.in ├── T144_10191-.in ├── T144_10192+.in ├── T144_10192-.in ├── T144_1032.in ├── T144_10320+.in ├── T144_10320-.in ├── T144_10321+.in ├── T144_10321-.in ├── T144_10322+.in ├── T144_10322-.in ├── T144_1046.in ├── T144_10460+.in ├── T144_10460-.in ├── T144_10462+.in ├── T144_10462-.in ├── T144_1047.in ├── T144_10470+.in ├── T144_10470-.in ├── T144_10471+.in ├── T144_10471-.in ├── T144_10472+.in ├── T144_10472-.in ├── T144_1048.in ├── T144_10480+.in ├── T144_10480-.in ├── T144_10481+.in ├── T144_10481-.in ├── T144_10482+.in ├── T144_10482-.in ├── T144_1049.in ├── T144_10490+.in ├── T144_10490-.in ├── T144_10491+.in ├── T144_10491-.in ├── T144_10492+.in ├── T144_10492-.in ├── T144_1074.in ├── T144_10740+.in ├── T144_10740-.in ├── T144_10741+.in ├── T144_10741-.in ├── T144_10742+.in ├── T144_10742-.in ├── T144_1085.in ├── T144_10850+.in ├── T144_10850-.in ├── T144_10851+.in ├── T144_10851-.in ├── T144_10852+.in ├── T144_10852-.in ├── T144_1108.in ├── T144_11080+.in ├── T144_11080-.in ├── T144_11081+.in ├── T144_11081-.in ├── T144_11082+.in ├── T144_11082-.in ├── T144_1109.in ├── T144_11090+.in ├── T144_11090-.in ├── T144_11091+.in ├── T144_11091-.in ├── T144_1115.in ├── T144_11150+.in ├── T144_11150-.in ├── T144_11151+.in ├── T144_11151-.in ├── T144_11152+.in ├── T144_11152-.in ├── T144_1117.in ├── T144_11170+.in ├── T144_11170-.in ├── T144_11171+.in ├── T144_11171-.in ├── T144_11172+.in ├── T144_11172-.in ├── T144_1119.in ├── T144_11190+.in ├── T144_11190-.in ├── T144_11191+.in ├── T144_11191-.in ├── T144_11192+.in ├── T144_11192-.in ├── T144_1135.in ├── T144_11350+.in ├── T144_11350-.in ├── T144_11351+.in ├── T144_11351-.in ├── T144_11352+.in ├── T144_11352-.in ├── T144_1149.in ├── T144_11490+.in ├── T144_11490-.in ├── T144_11491+.in ├── T144_11491-.in ├── T144_11492+.in ├── T144_11492-.in ├── T144_1193.in ├── T144_11930+.in ├── T144_11930-.in ├── T144_11931+.in ├── T144_11931-.in ├── T144_11932+.in ├── T144_11932-.in ├── T144_1194.in ├── T144_11940+.in ├── T144_11940-.in ├── T144_11941+.in ├── T144_11941-.in ├── T144_11942+.in ├── T144_11942-.in ├── T144_1197.in ├── T144_11970+.in ├── T144_11970-.in ├── T144_11971+.in ├── T144_11971-.in ├── T144_11972+.in ├── T144_11972-.in ├── T144_1207.in ├── T144_12070+.in ├── T144_12070-.in ├── T144_12072+.in ├── T144_12072-.in ├── T144_1209.in ├── T144_12090+.in ├── T144_12090-.in ├── T144_12091+.in ├── T144_12091-.in ├── T144_12092+.in ├── T144_12092-.in ├── T144_1241.in ├── T144_12410+.in ├── T144_12410-.in ├── T144_12411+.in ├── T144_12411-.in ├── T144_12412+.in ├── T144_12412-.in ├── T144_1250.in ├── T144_12500+.in ├── T144_12500-.in ├── T144_12501+.in ├── T144_12501-.in ├── T144_12502+.in ├── T144_12502-.in ├── T144_1251.in ├── T144_12510+.in ├── T144_12510-.in ├── T144_12511+.in ├── T144_12511-.in ├── T144_12512+.in ├── T144_12512-.in ├── T144_1256.in ├── T144_12560+.in ├── T144_12560-.in ├── T144_12561+.in ├── T144_12561-.in ├── T144_12562+.in ├── T144_12562-.in ├── T144_1314.in ├── T144_13140+.in ├── T144_13140-.in ├── T144_13141+.in ├── T144_13141-.in ├── T144_13142+.in ├── T144_13142-.in ├── T144_1315.in ├── T144_13150+.in ├── T144_13150-.in ├── T144_13151+.in ├── T144_13151-.in ├── T144_13152+.in ├── T144_13152-.in ├── T144_1332.in ├── T144_13320+.in ├── T144_13320-.in ├── T144_13321+.in ├── T144_13321-.in ├── T144_13322+.in ├── T144_13322-.in ├── T144_1344.in ├── T144_13440+.in ├── T144_13440-.in ├── T144_13441+.in ├── T144_13441-.in ├── T144_13442+.in ├── T144_13442-.in ├── T144_1361.in ├── T144_13610+.in ├── T144_13610-.in ├── T144_13611+.in ├── T144_13611-.in ├── T144_13612+.in ├── T144_13612-.in ├── T144_1367.in ├── T144_13670+.in ├── T144_13670-.in ├── T144_13671+.in ├── T144_13671-.in ├── T144_13672+.in ├── T144_13672-.in ├── T144_1378.in ├── T144_13780+.in ├── T144_13780-.in ├── T144_13781+.in ├── T144_13781-.in ├── T144_13782+.in ├── T144_13782-.in ├── T144_1382.in ├── T144_13820+.in ├── T144_13820-.in ├── T144_13821+.in ├── T144_13821-.in ├── T144_13822+.in ├── T144_13822-.in ├── T144_1391.in ├── T144_13910+.in ├── T144_13910-.in ├── T144_13911+.in ├── T144_13911-.in ├── T144_13912+.in ├── T144_13912-.in ├── T144_1395.in ├── T144_13950+.in ├── T144_13950-.in ├── T144_13952+.in ├── T144_13952-.in ├── T144_1396.in ├── T144_13960+.in ├── T144_13960-.in ├── T144_13961+.in ├── T144_13961-.in ├── T144_13962+.in ├── T144_13962-.in ├── T144_1406.in ├── T144_14060+.in ├── T144_14060-.in ├── T144_14061+.in ├── T144_14061-.in ├── T144_14062+.in ├── T144_14062-.in ├── T144_1408.in ├── T144_14080+.in ├── T144_14080-.in ├── T144_14081+.in ├── T144_14081-.in ├── T144_14082+.in ├── T144_14082-.in ├── T144_1409.in ├── T144_14090+.in ├── T144_14090-.in ├── T144_14091+.in ├── T144_14091-.in ├── T144_14092+.in ├── T144_14092-.in ├── T144_1428.in ├── T144_14280+.in ├── T144_14280-.in ├── T144_14281+.in ├── T144_14281-.in ├── T144_14282+.in ├── T144_14282-.in ├── T144_1429.in ├── T144_14290+.in ├── T144_14290-.in ├── T144_14291+.in ├── T144_14291-.in ├── T144_14292+.in ├── T144_14292-.in ├── T144_1438.in ├── T144_14380+.in ├── T144_14380-.in ├── T144_14381+.in ├── T144_14381-.in ├── T144_14382+.in ├── T144_14382-.in ├── T144_1444.in ├── T144_14440+.in ├── T144_14440-.in ├── T144_14441+.in ├── T144_14441-.in ├── T144_14442+.in ├── T144_14442-.in ├── T144_1455.in ├── T144_14550+.in ├── T144_14550-.in ├── T144_14551+.in ├── T144_14551-.in ├── T144_14552+.in ├── T144_14552-.in ├── T144_1457.in ├── T144_14570+.in ├── T144_14570-.in ├── T144_14571+.in ├── T144_14571-.in ├── T144_14572+.in ├── T144_14572-.in ├── T144_1475.in ├── T144_14750+.in ├── T144_14750-.in ├── T144_14751+.in ├── T144_14751-.in ├── T144_14752+.in ├── T144_14752-.in ├── T144_1479.in ├── T144_14790+.in ├── T144_14790-.in ├── T144_14791+.in ├── T144_14791-.in ├── T144_14792+.in ├── T144_14792-.in ├── T144_1502.in ├── T144_15020+.in ├── T144_15020-.in ├── T144_15021+.in ├── T144_15021-.in ├── T144_15022+.in ├── T144_15022-.in ├── T144_1563.in ├── T144_15630+.in ├── T144_15630-.in ├── T144_15631+.in ├── T144_15631-.in ├── T144_15632+.in ├── T144_15632-.in ├── T144_1564.in ├── T144_15640+.in ├── T144_15640-.in ├── T144_15641+.in ├── T144_15641-.in ├── T144_15642+.in ├── T144_15642-.in ├── T144_1588.in ├── T144_15880+.in ├── T144_15880-.in ├── T144_15881+.in ├── T144_15881-.in ├── T144_15882+.in ├── T144_15882-.in ├── T144_1603.in ├── T144_16030+.in ├── T144_16030-.in ├── T144_16031+.in ├── T144_16031-.in ├── T144_16032+.in ├── T144_16032-.in ├── T144_1604.in ├── T144_16040+.in ├── T144_16040-.in ├── T144_16041+.in ├── T144_16041-.in ├── T144_16042+.in ├── T144_16042-.in ├── T144_1607.in ├── T144_16070+.in ├── T144_16070-.in ├── T144_16071+.in ├── T144_16071-.in ├── T144_16072+.in ├── T144_16072-.in ├── T144_1610.in ├── T144_16100+.in ├── T144_16100-.in ├── T144_16101+.in ├── T144_16101-.in ├── T144_16102+.in ├── T144_16102-.in ├── T144_1617.in ├── T144_16170+.in ├── T144_16170-.in ├── T144_16171+.in ├── T144_16171-.in ├── T144_16172+.in ├── T144_16172-.in ├── T144_1619.in ├── T144_16190+.in ├── T144_16190-.in ├── T144_16191+.in ├── T144_16191-.in ├── T144_16192+.in ├── T144_16192-.in ├── T144_1622.in ├── T144_16220+.in ├── T144_16220-.in ├── T144_16221+.in ├── T144_16221-.in ├── T144_16222+.in ├── T144_16222-.in ├── T144_1625.in ├── T144_16250+.in ├── T144_16250-.in ├── T144_16251+.in ├── T144_16251-.in ├── T144_16252+.in ├── T144_16252-.in ├── T144_1626.in ├── T144_16260+.in ├── T144_16260-.in ├── T144_16261+.in ├── T144_16261-.in ├── T144_16262+.in ├── T144_16262-.in ├── T144_1630.in ├── T144_16300+.in ├── T144_16300-.in ├── T144_16301+.in ├── T144_16301-.in ├── T144_16302+.in ├── T144_16302-.in ├── T144_1633.in ├── T144_16330+.in ├── T144_16330-.in ├── T144_16331+.in ├── T144_16331-.in ├── T144_1634.in ├── T144_16340+.in ├── T144_16340-.in ├── T144_16341+.in ├── T144_16341-.in ├── T144_16342+.in ├── T144_16342-.in ├── TAUT15_10a.in ├── TAUT15_10b.in ├── TAUT15_1a.in ├── TAUT15_1b.in ├── TAUT15_2a.in ├── TAUT15_2b.in ├── TAUT15_3a.in ├── TAUT15_3b.in ├── TAUT15_3c.in ├── TAUT15_3d.in ├── TAUT15_4a.in ├── TAUT15_4b.in ├── TAUT15_5a.in ├── TAUT15_5b.in ├── TAUT15_5c.in ├── TAUT15_6a.in ├── TAUT15_6b.in ├── TAUT15_6c.in ├── TAUT15_6d.in ├── TAUT15_7a.in ├── TAUT15_7b.in ├── TAUT15_8a.in ├── TAUT15_8b.in ├── TAUT15_9a.in ├── TAUT15_9b.in ├── TMB01_R1.in ├── TMB01_R2.in ├── TMB01_T1.in ├── TMB06_C1.in ├── TMB06_T1.in ├── TMB08_C1.in ├── TMB08_T1.in ├── TMB09_T1.in ├── TMB10_C1.in ├── TMB20_C1.in ├── TMB20_I1.in ├── TMB20_T1.in ├── TMB20_T2.in ├── TMB20_T3.in ├── TMB26_C1.in ├── TMB26_T1.in ├── TMB28_C1.in ├── TMB28_T1.in ├── TMB29_C2.in ├── TMB29_T1.in ├── TMB31_C1.in ├── TMB31_T1.in ├── TMD01_H.in ├── TMD02_O.in ├── TMD03_F.in ├── TMD04_S.in ├── TMD05_Cl.in ├── TMD06_Br.in ├── TMD07_Ti.in ├── TMD08_V.in ├── TMD09_Cr.in ├── TMD10_Mn.in ├── TMD11_Fe.in ├── TMD12_Co.in ├── TMD13_Cu.in ├── TMD14_Zn.in ├── TMD15_TiBr.in ├── TMD16_VO.in ├── TMD17_CrS.in ├── TMD18_MnBr.in ├── TMD19_FeCl.in ├── TMD20_FeS.in ├── TMD21_CoH.in ├── TMD22_CoF.in ├── TMD23_CuBr.in ├── TMD24_ZnS.in ├── UPU23_0a.in ├── UPU23_0b.in ├── UPU23_1a.in ├── UPU23_1b.in ├── UPU23_1c.in ├── UPU23_1e.in ├── UPU23_1f.in ├── UPU23_1g.in ├── UPU23_1m.in ├── UPU23_1p.in ├── UPU23_2a.in ├── UPU23_2h.in ├── UPU23_2p.in ├── UPU23_3a.in ├── UPU23_3b.in ├── UPU23_3d.in ├── UPU23_4b.in ├── UPU23_5z.in ├── UPU23_6p.in ├── UPU23_7a.in ├── UPU23_7p.in ├── UPU23_8d.in ├── UPU23_9a.in ├── UPU23_aa.in ├── V30_C2H2_Ar.in ├── V30_C2H2_Ar_1+.in ├── V30_C2H2_Ar_1-.in ├── V30_C2H2_Ar_2+.in ├── V30_C2H2_Ar_2-.in ├── V30_C2H2_Ar_3+.in ├── V30_C2H2_Ar_3-.in ├── V30_C2H2_Ar_4+.in ├── V30_C2H2_Ar_4-.in ├── V30_C2H2_Ar_5+.in ├── V30_C2H2_Ar_5-.in ├── V30_C2H2_Ar_6+.in ├── V30_C2H2_Ar_6-.in ├── V30_C2H2_Ar_7+.in ├── V30_C2H2_Ar_7-.in ├── V30_C2H2_Ar_8+.in ├── V30_C2H2_Ar_8-.in ├── V30_C2H2_C2H2.in ├── V30_C2H2_C2H2_1+.in ├── V30_C2H2_C2H2_1-.in ├── V30_C2H2_C2H2_10+.in ├── V30_C2H2_C2H2_10-.in ├── V30_C2H2_C2H2_11+.in ├── V30_C2H2_C2H2_11-.in ├── V30_C2H2_C2H2_12+.in ├── V30_C2H2_C2H2_12-.in ├── V30_C2H2_C2H2_13+.in ├── V30_C2H2_C2H2_13-.in ├── V30_C2H2_C2H2_14+.in ├── V30_C2H2_C2H2_14-.in ├── V30_C2H2_C2H2_15+.in ├── V30_C2H2_C2H2_15-.in ├── V30_C2H2_C2H2_16+.in ├── V30_C2H2_C2H2_16-.in ├── V30_C2H2_C2H2_17+.in ├── V30_C2H2_C2H2_17-.in ├── V30_C2H2_C2H2_2+.in ├── V30_C2H2_C2H2_2-.in ├── V30_C2H2_C2H2_3+.in ├── V30_C2H2_C2H2_3-.in ├── V30_C2H2_C2H2_4+.in ├── V30_C2H2_C2H2_4-.in ├── V30_C2H2_C2H2_5+.in ├── V30_C2H2_C2H2_5-.in ├── V30_C2H2_C2H2_6+.in ├── V30_C2H2_C2H2_6-.in ├── V30_C2H2_C2H2_7+.in ├── V30_C2H2_C2H2_7-.in ├── V30_C2H2_C2H2_8+.in ├── V30_C2H2_C2H2_8-.in ├── V30_C2H2_C2H2_9+.in ├── V30_C2H2_C2H2_9-.in ├── V30_C2H4_Ar.in ├── V30_C2H4_Ar_1+.in ├── V30_C2H4_Ar_1-.in ├── V30_C2H4_Ar_10+.in ├── V30_C2H4_Ar_10-.in ├── V30_C2H4_Ar_11+.in ├── V30_C2H4_Ar_11-.in ├── V30_C2H4_Ar_12+.in ├── V30_C2H4_Ar_12-.in ├── V30_C2H4_Ar_13+.in ├── V30_C2H4_Ar_13-.in ├── V30_C2H4_Ar_14+.in ├── V30_C2H4_Ar_14-.in ├── V30_C2H4_Ar_2+.in ├── V30_C2H4_Ar_2-.in ├── V30_C2H4_Ar_3+.in ├── V30_C2H4_Ar_3-.in ├── V30_C2H4_Ar_4+.in ├── V30_C2H4_Ar_4-.in ├── V30_C2H4_Ar_5+.in ├── V30_C2H4_Ar_5-.in ├── V30_C2H4_Ar_6+.in ├── V30_C2H4_Ar_6-.in ├── V30_C2H4_Ar_7+.in ├── V30_C2H4_Ar_7-.in ├── V30_C2H4_Ar_8+.in ├── V30_C2H4_Ar_8-.in ├── V30_C2H4_Ar_9+.in ├── V30_C2H4_Ar_9-.in ├── V30_CH3OH_H2O.in ├── V30_CH3OH_H2O_0+.in ├── V30_CH3OH_H2O_0-.in ├── V30_CH3OH_H2O_1+.in ├── V30_CH3OH_H2O_1-.in ├── V30_CH3OH_H2O_10+.in ├── V30_CH3OH_H2O_10-.in ├── V30_CH3OH_H2O_11+.in ├── V30_CH3OH_H2O_11-.in ├── V30_CH3OH_H2O_12+.in ├── V30_CH3OH_H2O_12-.in ├── V30_CH3OH_H2O_13+.in ├── V30_CH3OH_H2O_13-.in ├── V30_CH3OH_H2O_14+.in ├── V30_CH3OH_H2O_14-.in ├── V30_CH3OH_H2O_15+.in ├── V30_CH3OH_H2O_15-.in ├── V30_CH3OH_H2O_16+.in ├── V30_CH3OH_H2O_16-.in ├── V30_CH3OH_H2O_17+.in ├── V30_CH3OH_H2O_17-.in ├── V30_CH3OH_H2O_18+.in ├── V30_CH3OH_H2O_18-.in ├── V30_CH3OH_H2O_19+.in ├── V30_CH3OH_H2O_19-.in ├── V30_CH3OH_H2O_2+.in ├── V30_CH3OH_H2O_2-.in ├── V30_CH3OH_H2O_20+.in ├── V30_CH3OH_H2O_20-.in ├── V30_CH3OH_H2O_3+.in ├── V30_CH3OH_H2O_3-.in ├── V30_CH3OH_H2O_4+.in ├── V30_CH3OH_H2O_4-.in ├── V30_CH3OH_H2O_5+.in ├── V30_CH3OH_H2O_5-.in ├── V30_CH3OH_H2O_6+.in ├── V30_CH3OH_H2O_6-.in ├── V30_CH3OH_H2O_7+.in ├── V30_CH3OH_H2O_7-.in ├── V30_CH3OH_H2O_8+.in ├── V30_CH3OH_H2O_8-.in ├── V30_CH3OH_H2O_9+.in ├── V30_CH3OH_H2O_9-.in ├── V30_CH4_Ar.in ├── V30_CH4_Ar_0+.in ├── V30_CH4_Ar_0-.in ├── V30_CH4_Ar_1+.in ├── V30_CH4_Ar_1-.in ├── V30_CH4_Ar_11+.in ├── V30_CH4_Ar_11-.in ├── V30_CH4_Ar_2+.in ├── V30_CH4_Ar_2-.in ├── V30_CH4_Ar_3+.in ├── V30_CH4_Ar_3-.in ├── V30_CH4_Ar_5+.in ├── V30_CH4_Ar_5-.in ├── V30_CH4_Ar_7+.in ├── V30_CH4_Ar_7-.in ├── V30_CH4_Ar_8+.in ├── V30_CH4_Ar_8-.in ├── V30_CH4_Ar_9+.in ├── V30_CH4_Ar_9-.in ├── V30_CH4_CH4.in ├── V30_CH4_CH4_1+.in ├── V30_CH4_CH4_1-.in ├── V30_CH4_CH4_11+.in ├── V30_CH4_CH4_11-.in ├── V30_CH4_CH4_12+.in ├── V30_CH4_CH4_12-.in ├── V30_CH4_CH4_14+.in ├── V30_CH4_CH4_14-.in ├── V30_CH4_CH4_16+.in ├── V30_CH4_CH4_16-.in ├── V30_CH4_CH4_18+.in ├── V30_CH4_CH4_18-.in ├── V30_CH4_CH4_2+.in ├── V30_CH4_CH4_2-.in ├── V30_CH4_CH4_21+.in ├── V30_CH4_CH4_21-.in ├── V30_CH4_CH4_3+.in ├── V30_CH4_CH4_3-.in ├── V30_CH4_CH4_4+.in ├── V30_CH4_CH4_4-.in ├── V30_CH4_CH4_5+.in ├── V30_CH4_CH4_5-.in ├── V30_CH4_CH4_6+.in ├── V30_CH4_CH4_6-.in ├── V30_CH4_CH4_7+.in ├── V30_CH4_CH4_7-.in ├── V30_CH4_CH4_9+.in ├── V30_CH4_CH4_9-.in ├── V30_CH4_N2.in ├── V30_CH4_N2_10+.in ├── V30_CH4_N2_10-.in ├── V30_CH4_N2_11+.in ├── V30_CH4_N2_11-.in ├── V30_CH4_N2_12+.in ├── V30_CH4_N2_12-.in ├── V30_CH4_N2_13+.in ├── V30_CH4_N2_13-.in ├── V30_CH4_N2_14+.in ├── V30_CH4_N2_14-.in ├── V30_CH4_N2_2+.in ├── V30_CH4_N2_2-.in ├── V30_CH4_N2_3+.in ├── V30_CH4_N2_3-.in ├── V30_CH4_N2_4+.in ├── V30_CH4_N2_4-.in ├── V30_CH4_N2_5+.in ├── V30_CH4_N2_5-.in ├── V30_CH4_N2_6+.in ├── V30_CH4_N2_6-.in ├── V30_CH4_N2_8+.in ├── V30_CH4_N2_8-.in ├── V30_CH4_N2_9+.in ├── V30_CH4_N2_9-.in ├── V30_CO2_Ar.in ├── V30_CO2_Ar_1+.in ├── V30_CO2_Ar_1-.in ├── V30_CO2_Ar_2+.in ├── V30_CO2_Ar_2-.in ├── V30_CO2_Ar_3+.in ├── V30_CO2_Ar_3-.in ├── V30_CO2_Ar_4+.in ├── V30_CO2_Ar_4-.in ├── V30_CO2_Ar_5+.in ├── V30_CO2_Ar_5-.in ├── V30_CO2_CO2.in ├── V30_CO2_CO2_1+.in ├── V30_CO2_CO2_1-.in ├── V30_CO2_CO2_10+.in ├── V30_CO2_CO2_10-.in ├── V30_CO2_CO2_11+.in ├── V30_CO2_CO2_11-.in ├── V30_CO2_CO2_2+.in ├── V30_CO2_CO2_2-.in ├── V30_CO2_CO2_3+.in ├── V30_CO2_CO2_3-.in ├── V30_CO2_CO2_4+.in ├── V30_CO2_CO2_4-.in ├── V30_CO2_CO2_5+.in ├── V30_CO2_CO2_5-.in ├── V30_CO2_CO2_6+.in ├── V30_CO2_CO2_6-.in ├── V30_CO2_CO2_7+.in ├── V30_CO2_CO2_7-.in ├── V30_CO2_CO2_8+.in ├── V30_CO2_CO2_8-.in ├── V30_CO2_N2.in ├── V30_CO2_N2_2+.in ├── V30_CO2_N2_2-.in ├── V30_CO2_N2_3+.in ├── V30_CO2_N2_3-.in ├── V30_CO2_N2_4+.in ├── V30_CO2_N2_4-.in ├── V30_CO2_N2_5+.in ├── V30_CO2_N2_5-.in ├── V30_CO2_N2_6+.in ├── V30_CO2_N2_6-.in ├── V30_CO2_N2_7+.in ├── V30_CO2_N2_7-.in ├── V30_CO2_N2_8+.in ├── V30_CO2_N2_8-.in ├── V30_CO_Ar.in ├── V30_CO_Ar_2+.in ├── V30_CO_Ar_2-.in ├── V30_CO_CO.in ├── V30_CO_CO_3+.in ├── V30_CO_CO_3-.in ├── V30_CO_CO_4+.in ├── V30_CO_CO_4-.in ├── V30_CO_CO_5+.in ├── V30_CO_CO_5-.in ├── V30_H2O_Ar.in ├── V30_H2O_Ar_1+.in ├── V30_H2O_Ar_1-.in ├── V30_H2O_Ar_2+.in ├── V30_H2O_Ar_2-.in ├── V30_H2O_Ar_3+.in ├── V30_H2O_Ar_3-.in ├── V30_H2O_Ar_4+.in ├── V30_H2O_Ar_4-.in ├── V30_H2O_Ar_5+.in ├── V30_H2O_Ar_5-.in ├── V30_H2O_CH4.in ├── V30_H2O_CH4_1+.in ├── V30_H2O_CH4_1-.in ├── V30_H2O_CH4_10+.in ├── V30_H2O_CH4_10-.in ├── V30_H2O_CH4_11+.in ├── V30_H2O_CH4_11-.in ├── V30_H2O_CH4_12+.in ├── V30_H2O_CH4_12-.in ├── V30_H2O_CH4_13+.in ├── V30_H2O_CH4_13-.in ├── V30_H2O_CH4_14+.in ├── V30_H2O_CH4_14-.in ├── V30_H2O_CH4_15+.in ├── V30_H2O_CH4_15-.in ├── V30_H2O_CH4_16+.in ├── V30_H2O_CH4_16-.in ├── V30_H2O_CH4_17+.in ├── V30_H2O_CH4_17-.in ├── V30_H2O_CH4_2+.in ├── V30_H2O_CH4_2-.in ├── V30_H2O_CH4_3+.in ├── V30_H2O_CH4_3-.in ├── V30_H2O_CH4_5+.in ├── V30_H2O_CH4_5-.in ├── V30_H2O_CH4_6+.in ├── V30_H2O_CH4_6-.in ├── V30_H2O_CH4_7+.in ├── V30_H2O_CH4_7-.in ├── V30_H2O_CH4_8+.in ├── V30_H2O_CH4_8-.in ├── V30_H2O_CH4_9+.in ├── V30_H2O_CH4_9-.in ├── V30_H2O_CO2.in ├── V30_H2O_CO2_1+.in ├── V30_H2O_CO2_1-.in ├── V30_H2O_CO2_10+.in ├── V30_H2O_CO2_10-.in ├── V30_H2O_CO2_11+.in ├── V30_H2O_CO2_11-.in ├── V30_H2O_CO2_2+.in ├── V30_H2O_CO2_2-.in ├── V30_H2O_CO2_3+.in ├── V30_H2O_CO2_3-.in ├── V30_H2O_CO2_4+.in ├── V30_H2O_CO2_4-.in ├── V30_H2O_CO2_5+.in ├── V30_H2O_CO2_5-.in ├── V30_H2O_CO2_6+.in ├── V30_H2O_CO2_6-.in ├── V30_H2O_CO2_7+.in ├── V30_H2O_CO2_7-.in ├── V30_H2O_CO2_8+.in ├── V30_H2O_CO2_8-.in ├── V30_H2O_CO2_9+.in ├── V30_H2O_CO2_9-.in ├── V30_H2O_H2O.in ├── V30_H2O_H2O_10+.in ├── V30_H2O_H2O_10-.in ├── V30_H2O_H2O_11+.in ├── V30_H2O_H2O_11-.in ├── V30_H2O_H2O_2+.in ├── V30_H2O_H2O_2-.in ├── V30_H2O_H2O_3+.in ├── V30_H2O_H2O_3-.in ├── V30_H2O_H2O_4+.in ├── V30_H2O_H2O_4-.in ├── V30_H2O_H2O_5+.in ├── V30_H2O_H2O_5-.in ├── V30_H2O_H2O_6+.in ├── V30_H2O_H2O_6-.in ├── V30_H2O_H2O_7+.in ├── V30_H2O_H2O_7-.in ├── V30_H2O_H2O_8+.in ├── V30_H2O_H2O_8-.in ├── V30_H2O_H2O_9+.in ├── V30_H2O_H2O_9-.in ├── V30_H2O_NH3.in ├── V30_H2O_NH3_1+.in ├── V30_H2O_NH3_1-.in ├── V30_H2O_NH3_10+.in ├── V30_H2O_NH3_10-.in ├── V30_H2O_NH3_11+.in ├── V30_H2O_NH3_11-.in ├── V30_H2O_NH3_12+.in ├── V30_H2O_NH3_12-.in ├── V30_H2O_NH3_13+.in ├── V30_H2O_NH3_13-.in ├── V30_H2O_NH3_14+.in ├── V30_H2O_NH3_14-.in ├── V30_H2O_NH3_2+.in ├── V30_H2O_NH3_2-.in ├── V30_H2O_NH3_3+.in ├── V30_H2O_NH3_3-.in ├── V30_H2O_NH3_4+.in ├── V30_H2O_NH3_4-.in ├── V30_H2O_NH3_5+.in ├── V30_H2O_NH3_5-.in ├── V30_H2O_NH3_6+.in ├── V30_H2O_NH3_6-.in ├── V30_H2O_NH3_7+.in ├── V30_H2O_NH3_7-.in ├── V30_H2O_NH3_8+.in ├── V30_H2O_NH3_8-.in ├── V30_H2O_NH3_9+.in ├── V30_H2O_NH3_9-.in ├── V30_HF_Ar.in ├── V30_HF_Ar_0+.in ├── V30_HF_Ar_0-.in ├── V30_HF_Ar_1+.in ├── V30_HF_Ar_1-.in ├── V30_HF_Ar_3+.in ├── V30_HF_Ar_3-.in ├── V30_HF_C2H2.in ├── V30_HF_C2H2_0+.in ├── V30_HF_C2H2_0-.in ├── V30_HF_C2H2_1+.in ├── V30_HF_C2H2_1-.in ├── V30_HF_C2H2_10+.in ├── V30_HF_C2H2_10-.in ├── V30_HF_C2H2_11+.in ├── V30_HF_C2H2_11-.in ├── V30_HF_C2H2_2+.in ├── V30_HF_C2H2_2-.in ├── V30_HF_C2H2_3+.in ├── V30_HF_C2H2_3-.in ├── V30_HF_C2H2_4+.in ├── V30_HF_C2H2_4-.in ├── V30_HF_C2H2_5+.in ├── V30_HF_C2H2_5-.in ├── V30_HF_C2H2_6+.in ├── V30_HF_C2H2_6-.in ├── V30_HF_C2H2_7+.in ├── V30_HF_C2H2_7-.in ├── V30_HF_C2H2_8+.in ├── V30_HF_C2H2_8-.in ├── V30_HF_C2H2_9+.in ├── V30_HF_C2H2_9-.in ├── V30_HF_CH4.in ├── V30_HF_CH4_0+.in ├── V30_HF_CH4_0-.in ├── V30_HF_CH4_10+.in ├── V30_HF_CH4_10-.in ├── V30_HF_CH4_11+.in ├── V30_HF_CH4_11-.in ├── V30_HF_CH4_13+.in ├── V30_HF_CH4_13-.in ├── V30_HF_CH4_14+.in ├── V30_HF_CH4_14-.in ├── V30_HF_CH4_2+.in ├── V30_HF_CH4_2-.in ├── V30_HF_CH4_3+.in ├── V30_HF_CH4_3-.in ├── V30_HF_CH4_5+.in ├── V30_HF_CH4_5-.in ├── V30_HF_CH4_7+.in ├── V30_HF_CH4_7-.in ├── V30_HF_CH4_8+.in ├── V30_HF_CH4_8-.in ├── V30_HF_CH4_9+.in ├── V30_HF_CH4_9-.in ├── V30_HF_CO.in ├── V30_HF_CO_0+.in ├── V30_HF_CO_0-.in ├── V30_HF_CO_2+.in ├── V30_HF_CO_2-.in ├── V30_HF_CO_3+.in ├── V30_HF_CO_3-.in ├── V30_HF_CO_5+.in ├── V30_HF_CO_5-.in ├── V30_HF_CO_6+.in ├── V30_HF_CO_6-.in ├── V30_HF_H2O.in ├── V30_HF_H2O_0+.in ├── V30_HF_H2O_0-.in ├── V30_HF_H2O_1+.in ├── V30_HF_H2O_1-.in ├── V30_HF_H2O_2+.in ├── V30_HF_H2O_2-.in ├── V30_HF_H2O_3+.in ├── V30_HF_H2O_3-.in ├── V30_HF_H2O_4+.in ├── V30_HF_H2O_4-.in ├── V30_HF_H2O_5+.in ├── V30_HF_H2O_5-.in ├── V30_HF_H2O_6+.in ├── V30_HF_H2O_6-.in ├── V30_HF_H2O_7+.in ├── V30_HF_H2O_7-.in ├── V30_HF_H2O_8+.in ├── V30_HF_H2O_8-.in ├── V30_HF_HCN.in ├── V30_HF_HCN_0+.in ├── V30_HF_HCN_0-.in ├── V30_HF_HCN_2+.in ├── V30_HF_HCN_2-.in ├── V30_HF_HCN_3+.in ├── V30_HF_HCN_3-.in ├── V30_HF_HCN_5+.in ├── V30_HF_HCN_5-.in ├── V30_HF_HCN_7+.in ├── V30_HF_HCN_7-.in ├── V30_HF_HCN_8+.in ├── V30_HF_HCN_8-.in ├── V30_HF_HCN_9+.in ├── V30_HF_HCN_9-.in ├── V30_HF_HF.in ├── V30_HF_HF_0+.in ├── V30_HF_HF_0-.in ├── V30_HF_HF_1+.in ├── V30_HF_HF_1-.in ├── V30_HF_HF_2+.in ├── V30_HF_HF_2-.in ├── V30_HF_HF_3+.in ├── V30_HF_HF_3-.in ├── V30_HF_HF_4+.in ├── V30_HF_HF_4-.in ├── V30_HF_HF_5+.in ├── V30_HF_HF_5-.in ├── V30_HF_N2.in ├── V30_HF_N2_0+.in ├── V30_HF_N2_0-.in ├── V30_HF_N2_2+.in ├── V30_HF_N2_2-.in ├── V30_HF_N2_3+.in ├── V30_HF_N2_3-.in ├── V30_HF_N2_5+.in ├── V30_HF_N2_5-.in ├── V30_HF_N2_6+.in ├── V30_HF_N2_6-.in ├── V30_HF_NH3.in ├── V30_HF_NH3_0+.in ├── V30_HF_NH3_0-.in ├── V30_HF_NH3_10+.in ├── V30_HF_NH3_10-.in ├── V30_HF_NH3_2+.in ├── V30_HF_NH3_2-.in ├── V30_HF_NH3_3+.in ├── V30_HF_NH3_3-.in ├── V30_HF_NH3_5+.in ├── V30_HF_NH3_5-.in ├── V30_HF_NH3_6+.in ├── V30_HF_NH3_6-.in ├── V30_HF_NH3_7+.in ├── V30_HF_NH3_7-.in ├── V30_HF_NH3_8+.in ├── V30_HF_NH3_8-.in ├── V30_HF_NH3_9+.in ├── V30_HF_NH3_9-.in ├── V30_N2_Ar.in ├── V30_N2_Ar_2+.in ├── V30_N2_Ar_2-.in ├── V30_N2_N2.in ├── V30_N2_N2_3+.in ├── V30_N2_N2_3-.in ├── V30_N2_N2_4+.in ├── V30_N2_N2_4-.in ├── V30_N2_N2_5+.in ├── V30_N2_N2_5-.in ├── V30_NH3_Ar.in ├── V30_NH3_Ar_0+.in ├── V30_NH3_Ar_0-.in ├── V30_NH3_Ar_1+.in ├── V30_NH3_Ar_1-.in ├── V30_NH3_Ar_2+.in ├── V30_NH3_Ar_2-.in ├── V30_NH3_Ar_3+.in ├── V30_NH3_Ar_3-.in ├── V30_NH3_Ar_4+.in ├── V30_NH3_Ar_4-.in ├── V30_NH3_Ar_5+.in ├── V30_NH3_Ar_5-.in ├── V30_NH3_Ar_6+.in ├── V30_NH3_Ar_6-.in ├── V30_NH3_Ar_7+.in ├── V30_NH3_Ar_7-.in ├── V30_NH3_Ar_8+.in ├── V30_NH3_Ar_8-.in ├── V30_NH3_NH3.in ├── V30_NH3_NH3_0+.in ├── V30_NH3_NH3_0-.in ├── V30_NH3_NH3_1+.in ├── V30_NH3_NH3_1-.in ├── V30_NH3_NH3_10+.in ├── V30_NH3_NH3_10-.in ├── V30_NH3_NH3_11+.in ├── V30_NH3_NH3_11-.in ├── V30_NH3_NH3_12+.in ├── V30_NH3_NH3_12-.in ├── V30_NH3_NH3_13+.in ├── V30_NH3_NH3_13-.in ├── V30_NH3_NH3_14+.in ├── V30_NH3_NH3_14-.in ├── V30_NH3_NH3_15+.in ├── V30_NH3_NH3_15-.in ├── V30_NH3_NH3_16+.in ├── V30_NH3_NH3_16-.in ├── V30_NH3_NH3_17+.in ├── V30_NH3_NH3_17-.in ├── V30_NH3_NH3_2+.in ├── V30_NH3_NH3_2-.in ├── V30_NH3_NH3_3+.in ├── V30_NH3_NH3_3-.in ├── V30_NH3_NH3_4+.in ├── V30_NH3_NH3_4-.in ├── V30_NH3_NH3_5+.in ├── V30_NH3_NH3_5-.in ├── V30_NH3_NH3_6+.in ├── V30_NH3_NH3_6-.in ├── V30_NH3_NH3_7+.in ├── V30_NH3_NH3_7-.in ├── V30_NH3_NH3_8+.in ├── V30_NH3_NH3_8-.in ├── V30_NH3_NH3_9+.in ├── V30_NH3_NH3_9-.in ├── W4-17_acetaldehyde.in ├── W4-17_acetic.in ├── W4-17_al.in ├── W4-17_alcl.in ├── W4-17_alcl3.in ├── W4-17_alf.in ├── W4-17_alf3.in ├── W4-17_alh.in ├── W4-17_alh3.in ├── W4-17_allene.in ├── W4-17_allyl.in ├── W4-17_b.in ├── W4-17_b2.in ├── W4-17_b2h6.in ├── W4-17_benzene.in ├── W4-17_beta-lactim.in ├── W4-17_bf.in ├── W4-17_bf3.in ├── W4-17_bh.in ├── W4-17_bh3.in ├── W4-17_bhf2.in ├── W4-17_bn.in ├── W4-17_bn3pi.in ├── W4-17_borole.in ├── W4-17_c-hcoh.in ├── W4-17_c-hono.in ├── W4-17_c-hooo.in ├── W4-17_c-n2h2.in ├── W4-17_c.in ├── W4-17_c2.in ├── W4-17_c2cl2.in ├── W4-17_c2cl4.in ├── W4-17_c2cl6.in ├── W4-17_c2clh.in ├── W4-17_c2clh3.in ├── W4-17_c2clh5.in ├── W4-17_c2f4.in ├── W4-17_c2f6.in ├── W4-17_c2h2.in ├── W4-17_c2h3f.in ├── W4-17_c2h4.in ├── W4-17_c2h5f.in ├── W4-17_c2h6.in ├── W4-17_cch.in ├── W4-17_ccl2.in ├── W4-17_ccl2h2.in ├── W4-17_ccl2o.in ├── W4-17_ccl3h.in ├── W4-17_ccl4.in ├── W4-17_cclh3.in ├── W4-17_cf.in ├── W4-17_cf2.in ├── W4-17_cf2cl2.in ├── W4-17_cf4.in ├── W4-17_ch.in ├── W4-17_ch2-sing.in ├── W4-17_ch2-trip.in ├── W4-17_ch2c.in ├── W4-17_ch2ch.in ├── W4-17_ch2clf.in ├── W4-17_ch2f2.in ├── W4-17_ch2nh.in ├── W4-17_ch2nh2.in ├── W4-17_ch3.in ├── W4-17_ch3f.in ├── W4-17_ch3nh.in ├── W4-17_ch3nh2.in ├── W4-17_ch3ph2.in ├── W4-17_ch4.in ├── W4-17_chf3.in ├── W4-17_cis-c2f2cl2.in ├── W4-17_cl.in ├── W4-17_cl2.in ├── W4-17_cl2o.in ├── W4-17_clcn.in ├── W4-17_clcof.in ├── W4-17_clf.in ├── W4-17_clf3.in ├── W4-17_clf5.in ├── W4-17_clno.in ├── W4-17_clo.in ├── W4-17_clo3.in ├── W4-17_cloo.in ├── W4-17_cloocl.in ├── W4-17_cn.in ├── W4-17_co.in ├── W4-17_co2.in ├── W4-17_cs.in ├── W4-17_cs2.in ├── W4-17_cyclobutadiene.in ├── W4-17_cyclobutane.in ├── W4-17_cyclobutene.in ├── W4-17_cyclopentadiene.in ├── W4-17_cyclopropane.in ├── W4-17_cyclopropene.in ├── W4-17_cyclopropyl.in ├── W4-17_dioxetan2one.in ├── W4-17_dioxetane.in ├── W4-17_dioxirane.in ├── W4-17_dithiotane.in ├── W4-17_ethanol.in ├── W4-17_f.in ├── W4-17_f2.in ├── W4-17_f2co.in ├── W4-17_f2o.in ├── W4-17_fccf.in ├── W4-17_fno.in ├── W4-17_fo2.in ├── W4-17_foof.in ├── W4-17_formamide.in ├── W4-17_formic-anhydride.in ├── W4-17_formic.in ├── W4-17_furan.in ├── W4-17_glyoxal.in ├── W4-17_h.in ├── W4-17_h2.in ├── W4-17_h2ccn.in ├── W4-17_h2cn.in ├── W4-17_h2co.in ├── W4-17_h2no.in ├── W4-17_h2o.in ├── W4-17_h2s.in ├── W4-17_hccf.in ├── W4-17_hcl.in ├── W4-17_hclo4.in ├── W4-17_hcn.in ├── W4-17_hcnh.in ├── W4-17_hcno.in ├── W4-17_hco.in ├── W4-17_hcof.in ├── W4-17_hf.in ├── W4-17_hnc.in ├── W4-17_hnco.in ├── W4-17_hnnn.in ├── W4-17_hno.in ├── W4-17_hocl.in ├── W4-17_hoclo.in ├── W4-17_hoclo2.in ├── W4-17_hocn.in ├── W4-17_hof.in ├── W4-17_honc.in ├── W4-17_hoo.in ├── W4-17_hooh.in ├── W4-17_hs.in ├── W4-17_ketene.in ├── W4-17_methanol.in ├── W4-17_n-butane.in ├── W4-17_n-pentane.in ├── W4-17_n.in ├── W4-17_n2.in ├── W4-17_n2h.in ├── W4-17_n2h4.in ├── W4-17_n2o.in ├── W4-17_n2o4.in ├── W4-17_nccn.in ├── W4-17_nh.in ├── W4-17_nh2.in ├── W4-17_nh2cl.in ├── W4-17_nh2f.in ├── W4-17_nh2oh.in ├── W4-17_nh3.in ├── W4-17_no.in ├── W4-17_no2.in ├── W4-17_o.in ├── W4-17_o2.in ├── W4-17_o3.in ├── W4-17_oclo.in ├── W4-17_ocs.in ├── W4-17_of.in ├── W4-17_oh.in ├── W4-17_oxadiazole.in ├── W4-17_oxetane.in ├── W4-17_oxirane.in ├── W4-17_oxirene.in ├── W4-17_p.in ├── W4-17_p2.in ├── W4-17_p4.in ├── W4-17_pf3.in ├── W4-17_pf5.in ├── W4-17_ph3.in ├── W4-17_propane.in ├── W4-17_propene.in ├── W4-17_propyne.in ├── W4-17_pyrrole.in ├── W4-17_s.in ├── W4-17_s2.in ├── W4-17_s2o.in ├── W4-17_s3.in ├── W4-17_s4-c2v.in ├── W4-17_sf6.in ├── W4-17_si.in ├── W4-17_si2h6.in ├── W4-17_sif.in ├── W4-17_sif4.in ├── W4-17_sih.in ├── W4-17_sih3f.in ├── W4-17_sih4.in ├── W4-17_silole.in ├── W4-17_sio.in ├── W4-17_so.in ├── W4-17_so2.in ├── W4-17_so3.in ├── W4-17_ssh.in ├── W4-17_t-butadiene.in ├── W4-17_t-hcoh.in ├── W4-17_t-hono.in ├── W4-17_t-hooo.in ├── W4-17_t-n2h2.in ├── W4-17_tetrahedrane.in ├── W4-17_thiophene.in ├── W4-17_trans-c2f2cl2.in ├── WATER27_H2O.in ├── WATER27_H2O2.in ├── WATER27_H2O20.in ├── WATER27_H2O20es.in ├── WATER27_H2O20fc.in ├── WATER27_H2O20fs.in ├── WATER27_H2O3.in ├── WATER27_H2O4.in ├── WATER27_H2O5.in ├── WATER27_H2O6.in ├── WATER27_H2O6b.in ├── WATER27_H2O6c.in ├── WATER27_H2O6c2.in ├── WATER27_H2O8d2d.in ├── WATER27_H2O8s4.in ├── WATER27_H3Op.in ├── WATER27_H3OpH2O.in ├── WATER27_H3OpH2O2.in ├── WATER27_H3OpH2O3.in ├── WATER27_H3OpH2O62d.in ├── WATER27_H3OpH2O63d.in ├── WATER27_H3OpH2O6OHm.in ├── WATER27_OHm.in ├── WATER27_OHmH2O.in ├── WATER27_OHmH2O2.in ├── WATER27_OHmH2O3.in ├── WATER27_OHmH2O4c4.in ├── WATER27_OHmH2O4cs.in ├── WATER27_OHmH2O5.in ├── WATER27_OHmH2O6.in ├── X40x10_01_methane-F2_0.80.in ├── X40x10_01_methane-F2_0.85.in ├── X40x10_01_methane-F2_0.90.in ├── X40x10_01_methane-F2_0.95.in ├── X40x10_01_methane-F2_1.00.in ├── X40x10_01_methane-F2_1.50.in ├── X40x10_01_methane-F2_monA.in ├── X40x10_01_methane-F2_monB.in ├── X40x10_02_methane-Cl2_0.80.in ├── X40x10_02_methane-Cl2_0.85.in ├── X40x10_02_methane-Cl2_0.90.in ├── X40x10_02_methane-Cl2_0.95.in ├── X40x10_02_methane-Cl2_1.00.in ├── X40x10_02_methane-Cl2_1.50.in ├── X40x10_02_methane-Cl2_monA.in ├── X40x10_02_methane-Cl2_monB.in ├── X40x10_03_methane-Br2_0.80.in ├── X40x10_03_methane-Br2_0.85.in ├── X40x10_03_methane-Br2_0.90.in ├── X40x10_03_methane-Br2_0.95.in ├── X40x10_03_methane-Br2_1.00.in ├── X40x10_03_methane-Br2_1.50.in ├── X40x10_03_methane-Br2_monA.in ├── X40x10_03_methane-Br2_monB.in ├── X40x10_04_methane-I2_0.80.in ├── X40x10_04_methane-I2_0.85.in ├── X40x10_04_methane-I2_0.90.in ├── X40x10_04_methane-I2_0.95.in ├── X40x10_04_methane-I2_1.00.in ├── X40x10_04_methane-I2_1.50.in ├── X40x10_04_methane-I2_monA.in ├── X40x10_04_methane-I2_monB.in ├── X40x10_05_fluoromethane-methane_0.80.in ├── X40x10_05_fluoromethane-methane_0.85.in ├── X40x10_05_fluoromethane-methane_0.90.in ├── X40x10_05_fluoromethane-methane_0.95.in ├── X40x10_05_fluoromethane-methane_1.00.in ├── X40x10_05_fluoromethane-methane_1.50.in ├── X40x10_05_fluoromethane-methane_monA.in ├── X40x10_05_fluoromethane-methane_monB.in ├── X40x10_06_chloromethane-methane_0.80.in ├── X40x10_06_chloromethane-methane_0.85.in ├── X40x10_06_chloromethane-methane_0.90.in ├── X40x10_06_chloromethane-methane_0.95.in ├── X40x10_06_chloromethane-methane_1.00.in ├── X40x10_06_chloromethane-methane_1.50.in ├── X40x10_06_chloromethane-methane_monA.in ├── X40x10_06_chloromethane-methane_monB.in ├── X40x10_07_trifluoromethane-methane_0.80.in ├── X40x10_07_trifluoromethane-methane_0.85.in ├── X40x10_07_trifluoromethane-methane_0.90.in ├── X40x10_07_trifluoromethane-methane_0.95.in ├── X40x10_07_trifluoromethane-methane_1.00.in ├── X40x10_07_trifluoromethane-methane_1.50.in ├── X40x10_07_trifluoromethane-methane_monA.in ├── X40x10_07_trifluoromethane-methane_monB.in ├── X40x10_08_trichloromethane-methane_0.80.in ├── X40x10_08_trichloromethane-methane_0.85.in ├── X40x10_08_trichloromethane-methane_0.90.in ├── X40x10_08_trichloromethane-methane_0.95.in ├── X40x10_08_trichloromethane-methane_1.00.in ├── X40x10_08_trichloromethane-methane_1.50.in ├── X40x10_08_trichloromethane-methane_monA.in ├── X40x10_08_trichloromethane-methane_monB.in ├── X40x10_09_fluoromethane-fluoromethane_0.80.in ├── X40x10_09_fluoromethane-fluoromethane_0.85.in ├── X40x10_09_fluoromethane-fluoromethane_0.90.in ├── X40x10_09_fluoromethane-fluoromethane_0.95.in ├── X40x10_09_fluoromethane-fluoromethane_1.00.in ├── X40x10_09_fluoromethane-fluoromethane_1.50.in ├── X40x10_09_fluoromethane-fluoromethane_monA.in ├── X40x10_09_fluoromethane-fluoromethane_monB.in ├── X40x10_10_chloromethane-chloromethane_0.80.in ├── X40x10_10_chloromethane-chloromethane_0.85.in ├── X40x10_10_chloromethane-chloromethane_0.90.in ├── X40x10_10_chloromethane-chloromethane_0.95.in ├── X40x10_10_chloromethane-chloromethane_1.00.in ├── X40x10_10_chloromethane-chloromethane_1.50.in ├── X40x10_10_chloromethane-chloromethane_monA.in ├── X40x10_10_chloromethane-chloromethane_monB.in ├── X40x10_11_benF3-ben_0.80.in ├── X40x10_11_benF3-ben_0.85.in ├── X40x10_11_benF3-ben_0.90.in ├── X40x10_11_benF3-ben_0.95.in ├── X40x10_11_benF3-ben_1.00.in ├── X40x10_11_benF3-ben_1.50.in ├── X40x10_11_benF3-ben_monA.in ├── X40x10_11_benF3-ben_monB.in ├── X40x10_12_benF6-ben_0.80.in ├── X40x10_12_benF6-ben_0.85.in ├── X40x10_12_benF6-ben_0.90.in ├── X40x10_12_benF6-ben_0.95.in ├── X40x10_12_benF6-ben_1.00.in ├── X40x10_12_benF6-ben_1.50.in ├── X40x10_12_benF6-ben_monA.in ├── X40x10_12_benF6-ben_monB.in ├── X40x10_13_chloromethane-formaldehyde_0.80.in ├── X40x10_13_chloromethane-formaldehyde_0.85.in ├── X40x10_13_chloromethane-formaldehyde_0.90.in ├── X40x10_13_chloromethane-formaldehyde_0.95.in ├── X40x10_13_chloromethane-formaldehyde_1.00.in ├── X40x10_13_chloromethane-formaldehyde_1.50.in ├── X40x10_13_chloromethane-formaldehyde_monA.in ├── X40x10_13_chloromethane-formaldehyde_monB.in ├── X40x10_14_bromomethane-formaldehyde_0.80.in ├── X40x10_14_bromomethane-formaldehyde_0.85.in ├── X40x10_14_bromomethane-formaldehyde_0.90.in ├── X40x10_14_bromomethane-formaldehyde_0.95.in ├── X40x10_14_bromomethane-formaldehyde_1.00.in ├── X40x10_14_bromomethane-formaldehyde_1.50.in ├── X40x10_14_bromomethane-formaldehyde_monA.in ├── X40x10_14_bromomethane-formaldehyde_monB.in ├── X40x10_15_iodomethane-formaldehyde_0.80.in ├── X40x10_15_iodomethane-formaldehyde_0.85.in ├── X40x10_15_iodomethane-formaldehyde_0.90.in ├── X40x10_15_iodomethane-formaldehyde_0.95.in ├── X40x10_15_iodomethane-formaldehyde_1.00.in ├── X40x10_15_iodomethane-formaldehyde_1.50.in ├── X40x10_15_iodomethane-formaldehyde_monA.in ├── X40x10_15_iodomethane-formaldehyde_monB.in ├── X40x10_16_F3chloromethane-formaldehyde_0.80.in ├── X40x10_16_F3chloromethane-formaldehyde_0.85.in ├── X40x10_16_F3chloromethane-formaldehyde_0.90.in ├── X40x10_16_F3chloromethane-formaldehyde_0.95.in ├── X40x10_16_F3chloromethane-formaldehyde_1.00.in ├── X40x10_16_F3chloromethane-formaldehyde_1.50.in ├── X40x10_16_F3chloromethane-formaldehyde_monA.in ├── X40x10_16_F3chloromethane-formaldehyde_monB.in ├── X40x10_17_F3bromomethane-formaldehyde_0.80.in ├── X40x10_17_F3bromomethane-formaldehyde_0.85.in ├── X40x10_17_F3bromomethane-formaldehyde_0.90.in ├── X40x10_17_F3bromomethane-formaldehyde_0.95.in ├── X40x10_17_F3bromomethane-formaldehyde_1.00.in ├── X40x10_17_F3bromomethane-formaldehyde_1.50.in ├── X40x10_17_F3bromomethane-formaldehyde_monA.in ├── X40x10_17_F3bromomethane-formaldehyde_monB.in ├── X40x10_18_F3iodomethane-formaldehyde_0.80.in ├── X40x10_18_F3iodomethane-formaldehyde_0.85.in ├── X40x10_18_F3iodomethane-formaldehyde_0.90.in ├── X40x10_18_F3iodomethane-formaldehyde_0.95.in ├── X40x10_18_F3iodomethane-formaldehyde_1.00.in ├── X40x10_18_F3iodomethane-formaldehyde_1.50.in ├── X40x10_18_F3iodomethane-formaldehyde_monA.in ├── X40x10_18_F3iodomethane-formaldehyde_monB.in ├── X40x10_19_benCl-acetone_0.80.in ├── X40x10_19_benCl-acetone_0.85.in ├── X40x10_19_benCl-acetone_0.90.in ├── X40x10_19_benCl-acetone_0.95.in ├── X40x10_19_benCl-acetone_1.00.in ├── X40x10_19_benCl-acetone_1.50.in ├── X40x10_19_benCl-acetone_monA.in ├── X40x10_19_benCl-acetone_monB.in ├── X40x10_20_benBr-acetone_0.80.in ├── X40x10_20_benBr-acetone_0.85.in ├── X40x10_20_benBr-acetone_0.90.in ├── X40x10_20_benBr-acetone_0.95.in ├── X40x10_20_benBr-acetone_1.00.in ├── X40x10_20_benBr-acetone_1.50.in ├── X40x10_20_benBr-acetone_monA.in ├── X40x10_20_benBr-acetone_monB.in ├── X40x10_21_benI-acetone_0.80.in ├── X40x10_21_benI-acetone_0.85.in ├── X40x10_21_benI-acetone_0.90.in ├── X40x10_21_benI-acetone_0.95.in ├── X40x10_21_benI-acetone_1.00.in ├── X40x10_21_benI-acetone_1.50.in ├── X40x10_21_benI-acetone_monA.in ├── X40x10_21_benI-acetone_monB.in ├── X40x10_22_benCl-Nm3_0.80.in ├── X40x10_22_benCl-Nm3_0.85.in ├── X40x10_22_benCl-Nm3_0.90.in ├── X40x10_22_benCl-Nm3_0.95.in ├── X40x10_22_benCl-Nm3_1.00.in ├── X40x10_22_benCl-Nm3_1.50.in ├── X40x10_22_benCl-Nm3_monA.in ├── X40x10_22_benCl-Nm3_monB.in ├── X40x10_23_benBr-Nm3_0.80.in ├── X40x10_23_benBr-Nm3_0.85.in ├── X40x10_23_benBr-Nm3_0.90.in ├── X40x10_23_benBr-Nm3_0.95.in ├── X40x10_23_benBr-Nm3_1.00.in ├── X40x10_23_benBr-Nm3_1.50.in ├── X40x10_23_benBr-Nm3_monA.in ├── X40x10_23_benBr-Nm3_monB.in ├── X40x10_24_benI-Nm3_0.80.in ├── X40x10_24_benI-Nm3_0.85.in ├── X40x10_24_benI-Nm3_0.90.in ├── X40x10_24_benI-Nm3_0.95.in ├── X40x10_24_benI-Nm3_1.00.in ├── X40x10_24_benI-Nm3_1.50.in ├── X40x10_24_benI-Nm3_monA.in ├── X40x10_24_benI-Nm3_monB.in ├── X40x10_25_benBr-mSH_0.80.in ├── X40x10_25_benBr-mSH_0.85.in ├── X40x10_25_benBr-mSH_0.90.in ├── X40x10_25_benBr-mSH_0.95.in ├── X40x10_25_benBr-mSH_1.00.in ├── X40x10_25_benBr-mSH_1.50.in ├── X40x10_25_benBr-mSH_monA.in ├── X40x10_25_benBr-mSH_monB.in ├── X40x10_26_benI-mSH_0.80.in ├── X40x10_26_benI-mSH_0.85.in ├── X40x10_26_benI-mSH_0.90.in ├── X40x10_26_benI-mSH_0.95.in ├── X40x10_26_benI-mSH_1.00.in ├── X40x10_26_benI-mSH_1.50.in ├── X40x10_26_benI-mSH_monA.in ├── X40x10_26_benI-mSH_monB.in ├── X40x10_27_CH3Br-ben_0.80.in ├── X40x10_27_CH3Br-ben_0.85.in ├── X40x10_27_CH3Br-ben_0.90.in ├── X40x10_27_CH3Br-ben_0.95.in ├── X40x10_27_CH3Br-ben_1.00.in ├── X40x10_27_CH3Br-ben_1.50.in ├── X40x10_27_CH3Br-ben_monA.in ├── X40x10_27_CH3Br-ben_monB.in ├── X40x10_28_CH3I-ben_0.80.in ├── X40x10_28_CH3I-ben_0.85.in ├── X40x10_28_CH3I-ben_0.90.in ├── X40x10_28_CH3I-ben_0.95.in ├── X40x10_28_CH3I-ben_1.00.in ├── X40x10_28_CH3I-ben_1.50.in ├── X40x10_28_CH3I-ben_monA.in ├── X40x10_28_CH3I-ben_monB.in ├── X40x10_29_CF3Br-ben_0.80.in ├── X40x10_29_CF3Br-ben_0.85.in ├── X40x10_29_CF3Br-ben_0.90.in ├── X40x10_29_CF3Br-ben_0.95.in ├── X40x10_29_CF3Br-ben_1.00.in ├── X40x10_29_CF3Br-ben_1.50.in ├── X40x10_29_CF3Br-ben_monA.in ├── X40x10_29_CF3Br-ben_monB.in ├── X40x10_30_CF3I-ben_0.80.in ├── X40x10_30_CF3I-ben_0.85.in ├── X40x10_30_CF3I-ben_0.90.in ├── X40x10_30_CF3I-ben_0.95.in ├── X40x10_30_CF3I-ben_1.00.in ├── X40x10_30_CF3I-ben_1.50.in ├── X40x10_30_CF3I-ben_monA.in ├── X40x10_30_CF3I-ben_monB.in ├── X40x10_31_trifluorometOH-wat_0.80.in ├── X40x10_31_trifluorometOH-wat_0.85.in ├── X40x10_31_trifluorometOH-wat_0.90.in ├── X40x10_31_trifluorometOH-wat_0.95.in ├── X40x10_31_trifluorometOH-wat_1.00.in ├── X40x10_31_trifluorometOH-wat_1.50.in ├── X40x10_31_trifluorometOH-wat_monA.in ├── X40x10_31_trifluorometOH-wat_monB.in ├── X40x10_32_trichlorometOH-wat_0.80.in ├── X40x10_32_trichlorometOH-wat_0.85.in ├── X40x10_32_trichlorometOH-wat_0.90.in ├── X40x10_32_trichlorometOH-wat_0.95.in ├── X40x10_32_trichlorometOH-wat_1.00.in ├── X40x10_32_trichlorometOH-wat_1.50.in ├── X40x10_32_trichlorometOH-wat_monA.in ├── X40x10_32_trichlorometOH-wat_monB.in ├── X40x10_33_HF-mOH_0.80.in ├── X40x10_33_HF-mOH_0.85.in ├── X40x10_33_HF-mOH_0.90.in ├── X40x10_33_HF-mOH_0.95.in ├── X40x10_33_HF-mOH_1.00.in ├── X40x10_33_HF-mOH_1.50.in ├── X40x10_33_HF-mOH_monA.in ├── X40x10_33_HF-mOH_monB.in ├── X40x10_34_HCl-mOH_0.80.in ├── X40x10_34_HCl-mOH_0.85.in ├── X40x10_34_HCl-mOH_0.90.in ├── X40x10_34_HCl-mOH_0.95.in ├── X40x10_34_HCl-mOH_1.00.in ├── X40x10_34_HCl-mOH_1.50.in ├── X40x10_34_HCl-mOH_monA.in ├── X40x10_34_HCl-mOH_monB.in ├── X40x10_35_HBr-mOH_0.80.in ├── X40x10_35_HBr-mOH_0.85.in ├── X40x10_35_HBr-mOH_0.90.in ├── X40x10_35_HBr-mOH_0.95.in ├── X40x10_35_HBr-mOH_1.00.in ├── X40x10_35_HBr-mOH_1.50.in ├── X40x10_35_HBr-mOH_monA.in ├── X40x10_35_HBr-mOH_monB.in ├── X40x10_36_HI-mOH_0.80.in ├── X40x10_36_HI-mOH_0.85.in ├── X40x10_36_HI-mOH_0.90.in ├── X40x10_36_HI-mOH_0.95.in ├── X40x10_36_HI-mOH_1.00.in ├── X40x10_36_HI-mOH_1.50.in ├── X40x10_36_HI-mOH_monA.in ├── X40x10_36_HI-mOH_monB.in ├── X40x10_37_HF-mNH2_0.80.in ├── X40x10_37_HF-mNH2_0.85.in ├── X40x10_37_HF-mNH2_0.90.in ├── X40x10_37_HF-mNH2_0.95.in ├── X40x10_37_HF-mNH2_1.00.in ├── X40x10_37_HF-mNH2_1.50.in ├── X40x10_37_HF-mNH2_monA.in ├── X40x10_37_HF-mNH2_monB.in ├── X40x10_38_HCl-mNH2_0.80.in ├── X40x10_38_HCl-mNH2_0.85.in ├── X40x10_38_HCl-mNH2_0.90.in ├── X40x10_38_HCl-mNH2_0.95.in ├── X40x10_38_HCl-mNH2_1.00.in ├── X40x10_38_HCl-mNH2_1.50.in ├── X40x10_38_HCl-mNH2_monA.in ├── X40x10_38_HCl-mNH2_monB.in ├── X40x10_39_methanol-fluoromethane_0.80.in ├── X40x10_39_methanol-fluoromethane_0.85.in ├── X40x10_39_methanol-fluoromethane_0.90.in ├── X40x10_39_methanol-fluoromethane_0.95.in ├── X40x10_39_methanol-fluoromethane_1.00.in ├── X40x10_39_methanol-fluoromethane_1.50.in ├── X40x10_39_methanol-fluoromethane_monA.in ├── X40x10_39_methanol-fluoromethane_monB.in ├── X40x10_40_methanol-chloromethane_0.80.in ├── X40x10_40_methanol-chloromethane_0.85.in ├── X40x10_40_methanol-chloromethane_0.90.in ├── X40x10_40_methanol-chloromethane_0.95.in ├── X40x10_40_methanol-chloromethane_1.00.in ├── X40x10_40_methanol-chloromethane_1.50.in ├── X40x10_40_methanol-chloromethane_monA.in ├── X40x10_40_methanol-chloromethane_monB.in ├── YBDE18_cbh22.in ├── YBDE18_ch2.in ├── YBDE18_f2s-cbh22.in ├── YBDE18_f2s-ch2.in ├── YBDE18_f2s.in ├── YBDE18_h2s-cbh22.in ├── YBDE18_h2s-ch2.in ├── YBDE18_h2s.in ├── YBDE18_me2s-cbh22.in ├── YBDE18_me2s-ch2.in ├── YBDE18_me2s.in ├── YBDE18_nf3-cbh22.in ├── YBDE18_nf3-ch2.in ├── YBDE18_nf3.in ├── YBDE18_nh3-cbh22.in ├── YBDE18_nh3-ch2.in ├── YBDE18_nh3.in ├── YBDE18_nme3-cbh22.in ├── YBDE18_nme3-ch2.in ├── YBDE18_nme3.in ├── YBDE18_pf3-cbh22.in ├── YBDE18_pf3-ch2.in ├── YBDE18_pf3.in ├── YBDE18_ph3-cbh22.in ├── YBDE18_ph3-ch2.in ├── YBDE18_ph3.in ├── YBDE18_pme3-cbh22.in ├── YBDE18_pme3-ch2.in ├── YBDE18_pme3.in └── h2o_SW49.in └── xyz_files ├── 01_water-ammonia_0p9_dim_A21x12.xyz ├── 01_water-ammonia_1p0_dim_A21x12.xyz ├── 01_water-ammonia_1p1_dim_A21x12.xyz ├── 01_water-ammonia_1p2_dim_A21x12.xyz ├── 01_water-ammonia_1p4_dim_A21x12.xyz ├── 01_water-ammonia_1p6_dim_A21x12.xyz ├── 01_water-ammonia_2p0_dim_A21x12.xyz ├── 01a_water_dimAB_3B-69.xyz ├── 01a_water_dimAC_3B-69.xyz ├── 01a_water_dimBC_3B-69.xyz ├── 01a_water_monA_3B-69.xyz ├── 01a_water_monB_3B-69.xyz ├── 01a_water_monC_3B-69.xyz ├── 01a_water_trim_3B-69.xyz ├── 01b_water_dimAB_3B-69.xyz ├── 01b_water_dimAC_3B-69.xyz ├── 01b_water_dimBC_3B-69.xyz ├── 01b_water_monA_3B-69.xyz ├── 01b_water_monB_3B-69.xyz ├── 01b_water_monC_3B-69.xyz ├── 01b_water_trim_3B-69.xyz ├── 01c_water_dimAB_3B-69.xyz ├── 01c_water_dimAC_3B-69.xyz ├── 01c_water_dimBC_3B-69.xyz ├── 01c_water_monA_3B-69.xyz ├── 01c_water_monB_3B-69.xyz ├── 01c_water_monC_3B-69.xyz ├── 01c_water_trim_3B-69.xyz ├── 02a_formaldehyde_dimAB_3B-69.xyz ├── 02a_formaldehyde_dimAC_3B-69.xyz ├── 02a_formaldehyde_dimBC_3B-69.xyz ├── 02a_formaldehyde_monA_3B-69.xyz ├── 02a_formaldehyde_monB_3B-69.xyz ├── 02a_formaldehyde_monC_3B-69.xyz ├── 02a_formaldehyde_trim_3B-69.xyz ├── 02b_formaldehyde_dimAB_3B-69.xyz ├── 02b_formaldehyde_dimAC_3B-69.xyz ├── 02b_formaldehyde_dimBC_3B-69.xyz ├── 02b_formaldehyde_monA_3B-69.xyz ├── 02b_formaldehyde_monB_3B-69.xyz ├── 02b_formaldehyde_monC_3B-69.xyz ├── 02b_formaldehyde_trim_3B-69.xyz ├── 02c_formaldehyde_dimAB_3B-69.xyz ├── 02c_formaldehyde_dimAC_3B-69.xyz ├── 02c_formaldehyde_dimBC_3B-69.xyz ├── 02c_formaldehyde_monA_3B-69.xyz ├── 02c_formaldehyde_monB_3B-69.xyz ├── 02c_formaldehyde_monC_3B-69.xyz ├── 02c_formaldehyde_trim_3B-69.xyz ├── 03_HCN-dimer_0p9_dim_A21x12.xyz ├── 03_HCN-dimer_1p0_dim_A21x12.xyz ├── 03_HCN-dimer_1p1_dim_A21x12.xyz ├── 03_HCN-dimer_1p2_dim_A21x12.xyz ├── 03_HCN-dimer_1p4_dim_A21x12.xyz ├── 03_HCN-dimer_1p6_dim_A21x12.xyz ├── 03_HCN-dimer_2p0_dim_A21x12.xyz ├── 03a_methanol_ethyne_dimAB_3B-69.xyz ├── 03a_methanol_ethyne_dimAC_3B-69.xyz ├── 03a_methanol_ethyne_dimBC_3B-69.xyz ├── 03a_methanol_ethyne_monA_3B-69.xyz ├── 03a_methanol_ethyne_monB_3B-69.xyz ├── 03a_methanol_ethyne_monC_3B-69.xyz ├── 03a_methanol_ethyne_trim_3B-69.xyz ├── 03b_methanol_ethyne_dimAB_3B-69.xyz ├── 03b_methanol_ethyne_dimAC_3B-69.xyz ├── 03b_methanol_ethyne_dimBC_3B-69.xyz ├── 03b_methanol_ethyne_monA_3B-69.xyz ├── 03b_methanol_ethyne_monB_3B-69.xyz ├── 03b_methanol_ethyne_monC_3B-69.xyz ├── 03b_methanol_ethyne_trim_3B-69.xyz ├── 03c_methanol_ethyne_dimAB_3B-69.xyz ├── 03c_methanol_ethyne_dimAC_3B-69.xyz ├── 03c_methanol_ethyne_dimBC_3B-69.xyz ├── 03c_methanol_ethyne_monA_3B-69.xyz ├── 03c_methanol_ethyne_monB_3B-69.xyz ├── 03c_methanol_ethyne_monC_3B-69.xyz ├── 03c_methanol_ethyne_trim_3B-69.xyz ├── 04_HF-dimer_0p9_dim_A21x12.xyz ├── 04_HF-dimer_1p0_dim_A21x12.xyz ├── 04_HF-dimer_1p1_dim_A21x12.xyz ├── 04_HF-dimer_1p2_dim_A21x12.xyz ├── 04_HF-dimer_1p4_dim_A21x12.xyz ├── 04_HF-dimer_1p6_dim_A21x12.xyz ├── 04_HF-dimer_2p0_dim_A21x12.xyz ├── 04a_acetonitrile_dimAB_3B-69.xyz ├── 04a_acetonitrile_dimAC_3B-69.xyz ├── 04a_acetonitrile_dimBC_3B-69.xyz ├── 04a_acetonitrile_monA_3B-69.xyz ├── 04a_acetonitrile_monB_3B-69.xyz ├── 04a_acetonitrile_monC_3B-69.xyz ├── 04a_acetonitrile_trim_3B-69.xyz ├── 04b_acetonitrile_dimAB_3B-69.xyz ├── 04b_acetonitrile_dimAC_3B-69.xyz ├── 04b_acetonitrile_dimBC_3B-69.xyz ├── 04b_acetonitrile_monA_3B-69.xyz ├── 04b_acetonitrile_monB_3B-69.xyz ├── 04b_acetonitrile_monC_3B-69.xyz ├── 04b_acetonitrile_trim_3B-69.xyz ├── 04c_acetonitrile_dimAB_3B-69.xyz ├── 04c_acetonitrile_dimAC_3B-69.xyz ├── 04c_acetonitrile_dimBC_3B-69.xyz ├── 04c_acetonitrile_monA_3B-69.xyz ├── 04c_acetonitrile_monB_3B-69.xyz ├── 04c_acetonitrile_monC_3B-69.xyz ├── 04c_acetonitrile_trim_3B-69.xyz ├── 05_ammonia-dimer_0p9_dim_A21x12.xyz ├── 05_ammonia-dimer_1p0_dim_A21x12.xyz ├── 05_ammonia-dimer_1p1_dim_A21x12.xyz ├── 05_ammonia-dimer_1p2_dim_A21x12.xyz ├── 05_ammonia-dimer_1p4_dim_A21x12.xyz ├── 05_ammonia-dimer_1p6_dim_A21x12.xyz ├── 05_ammonia-dimer_2p0_dim_A21x12.xyz ├── 05a_nitromethane_dimAB_3B-69.xyz ├── 05a_nitromethane_dimAC_3B-69.xyz ├── 05a_nitromethane_dimBC_3B-69.xyz ├── 05a_nitromethane_monA_3B-69.xyz ├── 05a_nitromethane_monB_3B-69.xyz ├── 05a_nitromethane_monC_3B-69.xyz ├── 05a_nitromethane_trim_3B-69.xyz ├── 05b_nitromethane_dimAB_3B-69.xyz ├── 05b_nitromethane_dimAC_3B-69.xyz ├── 05b_nitromethane_dimBC_3B-69.xyz ├── 05b_nitromethane_monA_3B-69.xyz ├── 05b_nitromethane_monB_3B-69.xyz ├── 05b_nitromethane_monC_3B-69.xyz ├── 05b_nitromethane_trim_3B-69.xyz ├── 05c_nitromethane_dimAB_3B-69.xyz ├── 05c_nitromethane_dimAC_3B-69.xyz ├── 05c_nitromethane_dimBC_3B-69.xyz ├── 05c_nitromethane_monA_3B-69.xyz ├── 05c_nitromethane_monB_3B-69.xyz ├── 05c_nitromethane_monC_3B-69.xyz ├── 05c_nitromethane_trim_3B-69.xyz ├── 06_HF-methane_0p9_dim_A21x12.xyz ├── 06_HF-methane_1p0_dim_A21x12.xyz ├── 06_HF-methane_1p1_dim_A21x12.xyz ├── 06_HF-methane_1p2_dim_A21x12.xyz ├── 06_HF-methane_1p4_dim_A21x12.xyz ├── 06_HF-methane_1p6_dim_A21x12.xyz ├── 06_HF-methane_2p0_dim_A21x12.xyz ├── 06a_acetic_acid_dimAB_3B-69.xyz ├── 06a_acetic_acid_dimAC_3B-69.xyz ├── 06a_acetic_acid_dimBC_3B-69.xyz ├── 06a_acetic_acid_monA_3B-69.xyz ├── 06a_acetic_acid_monB_3B-69.xyz ├── 06a_acetic_acid_monC_3B-69.xyz ├── 06a_acetic_acid_trim_3B-69.xyz ├── 06b_acetic_acid_dimAB_3B-69.xyz ├── 06b_acetic_acid_dimAC_3B-69.xyz ├── 06b_acetic_acid_dimBC_3B-69.xyz ├── 06b_acetic_acid_monA_3B-69.xyz ├── 06b_acetic_acid_monB_3B-69.xyz ├── 06b_acetic_acid_monC_3B-69.xyz ├── 06b_acetic_acid_trim_3B-69.xyz ├── 06c_acetic_acid_dimAB_3B-69.xyz ├── 06c_acetic_acid_dimAC_3B-69.xyz ├── 06c_acetic_acid_dimBC_3B-69.xyz ├── 06c_acetic_acid_monA_3B-69.xyz ├── 06c_acetic_acid_monB_3B-69.xyz ├── 06c_acetic_acid_monC_3B-69.xyz ├── 06c_acetic_acid_trim_3B-69.xyz ├── 07_ammonia-methane_0p9_dim_A21x12.xyz ├── 07_ammonia-methane_1p0_dim_A21x12.xyz ├── 07_ammonia-methane_1p1_dim_A21x12.xyz ├── 07_ammonia-methane_1p2_dim_A21x12.xyz ├── 07_ammonia-methane_1p4_dim_A21x12.xyz ├── 07_ammonia-methane_1p6_dim_A21x12.xyz ├── 07_ammonia-methane_2p0_dim_A21x12.xyz ├── 07a_oxalic_acid_dimAB_3B-69.xyz ├── 07a_oxalic_acid_dimAC_3B-69.xyz ├── 07a_oxalic_acid_dimBC_3B-69.xyz ├── 07a_oxalic_acid_monA_3B-69.xyz ├── 07a_oxalic_acid_monB_3B-69.xyz ├── 07a_oxalic_acid_monC_3B-69.xyz ├── 07a_oxalic_acid_trim_3B-69.xyz ├── 07b_oxalic_acid_dimAB_3B-69.xyz ├── 07b_oxalic_acid_dimAC_3B-69.xyz ├── 07b_oxalic_acid_dimBC_3B-69.xyz ├── 07b_oxalic_acid_monA_3B-69.xyz ├── 07b_oxalic_acid_monB_3B-69.xyz ├── 07b_oxalic_acid_monC_3B-69.xyz ├── 07b_oxalic_acid_trim_3B-69.xyz ├── 07c_oxalic_acid_dimAB_3B-69.xyz ├── 07c_oxalic_acid_dimAC_3B-69.xyz ├── 07c_oxalic_acid_dimBC_3B-69.xyz ├── 07c_oxalic_acid_monA_3B-69.xyz ├── 07c_oxalic_acid_monB_3B-69.xyz ├── 07c_oxalic_acid_monC_3B-69.xyz ├── 07c_oxalic_acid_trim_3B-69.xyz ├── 08_water-methane_0p9_dim_A21x12.xyz ├── 08_water-methane_1p0_dim_A21x12.xyz ├── 08_water-methane_1p1_dim_A21x12.xyz ├── 08_water-methane_1p2_dim_A21x12.xyz ├── 08_water-methane_1p4_dim_A21x12.xyz ├── 08_water-methane_1p6_dim_A21x12.xyz ├── 08_water-methane_2p0_dim_A21x12.xyz ├── 08a_vinylene_carbonate_dimAB_3B-69.xyz ├── 08a_vinylene_carbonate_dimAC_3B-69.xyz ├── 08a_vinylene_carbonate_dimBC_3B-69.xyz ├── 08a_vinylene_carbonate_monA_3B-69.xyz ├── 08a_vinylene_carbonate_monB_3B-69.xyz ├── 08a_vinylene_carbonate_monC_3B-69.xyz ├── 08a_vinylene_carbonate_trim_3B-69.xyz ├── 08b_vinylene_carbonate_dimAB_3B-69.xyz ├── 08b_vinylene_carbonate_dimAC_3B-69.xyz ├── 08b_vinylene_carbonate_dimBC_3B-69.xyz ├── 08b_vinylene_carbonate_monA_3B-69.xyz ├── 08b_vinylene_carbonate_monB_3B-69.xyz ├── 08b_vinylene_carbonate_monC_3B-69.xyz ├── 08b_vinylene_carbonate_trim_3B-69.xyz ├── 08c_vinylene_carbonate_dimAB_3B-69.xyz ├── 08c_vinylene_carbonate_dimAC_3B-69.xyz ├── 08c_vinylene_carbonate_dimBC_3B-69.xyz ├── 08c_vinylene_carbonate_monA_3B-69.xyz ├── 08c_vinylene_carbonate_monB_3B-69.xyz ├── 08c_vinylene_carbonate_monC_3B-69.xyz ├── 08c_vinylene_carbonate_trim_3B-69.xyz ├── 09_formaldehyde-dimer_0p9_dim_A21x12.xyz ├── 09_formaldehyde-dimer_1p0_dim_A21x12.xyz ├── 09_formaldehyde-dimer_1p1_dim_A21x12.xyz ├── 09_formaldehyde-dimer_1p2_dim_A21x12.xyz ├── 09_formaldehyde-dimer_1p4_dim_A21x12.xyz ├── 09_formaldehyde-dimer_1p6_dim_A21x12.xyz ├── 09_formaldehyde-dimer_2p0_dim_A21x12.xyz ├── 09a_acetamide_dimAB_3B-69.xyz ├── 09a_acetamide_dimAC_3B-69.xyz ├── 09a_acetamide_dimBC_3B-69.xyz ├── 09a_acetamide_monA_3B-69.xyz ├── 09a_acetamide_monB_3B-69.xyz ├── 09a_acetamide_monC_3B-69.xyz ├── 09a_acetamide_trim_3B-69.xyz ├── 09b_acetamide_dimAB_3B-69.xyz ├── 09b_acetamide_dimAC_3B-69.xyz ├── 09b_acetamide_dimBC_3B-69.xyz ├── 09b_acetamide_monA_3B-69.xyz ├── 09b_acetamide_monB_3B-69.xyz ├── 09b_acetamide_monC_3B-69.xyz ├── 09b_acetamide_trim_3B-69.xyz ├── 09c_acetamide_dimAB_3B-69.xyz ├── 09c_acetamide_dimAC_3B-69.xyz ├── 09c_acetamide_dimBC_3B-69.xyz ├── 09c_acetamide_monA_3B-69.xyz ├── 09c_acetamide_monB_3B-69.xyz ├── 09c_acetamide_monC_3B-69.xyz ├── 09c_acetamide_trim_3B-69.xyz ├── 101_BzBz_PD32-0p2_dim_NBC10.xyz ├── 101_BzBz_PD32-0p2_monA_NBC10.xyz ├── 101_BzBz_PD32-0p2_monB_NBC10.xyz ├── 102_BzBz_PD32-0p4_dim_NBC10.xyz ├── 103_BzBz_PD32-0p6_dim_NBC10.xyz ├── 104_BzBz_PD32-0p8_dim_NBC10.xyz ├── 105_BzBz_PD32-1p0_dim_NBC10.xyz ├── 106_BzBz_PD32-1p2_dim_NBC10.xyz ├── 107_BzBz_PD32-1p4_dim_NBC10.xyz ├── 108_BzBz_PD32-1p5_dim_NBC10.xyz ├── 109_BzBz_PD32-1p6_dim_NBC10.xyz ├── 10_water-ethene_0p9_dim_A21x12.xyz ├── 10_water-ethene_1p0_dim_A21x12.xyz ├── 10_water-ethene_1p1_dim_A21x12.xyz ├── 10_water-ethene_1p2_dim_A21x12.xyz ├── 10_water-ethene_1p4_dim_A21x12.xyz ├── 10_water-ethene_1p6_dim_A21x12.xyz ├── 10_water-ethene_2p0_dim_A21x12.xyz ├── 10a_imidazole_dimAB_3B-69.xyz ├── 10a_imidazole_dimAC_3B-69.xyz ├── 10a_imidazole_dimBC_3B-69.xyz ├── 10a_imidazole_monA_3B-69.xyz ├── 10a_imidazole_monB_3B-69.xyz ├── 10a_imidazole_monC_3B-69.xyz ├── 10a_imidazole_trim_3B-69.xyz ├── 10b_imidazole_dimAB_3B-69.xyz ├── 10b_imidazole_dimAC_3B-69.xyz ├── 10b_imidazole_dimBC_3B-69.xyz ├── 10b_imidazole_monA_3B-69.xyz ├── 10b_imidazole_monB_3B-69.xyz ├── 10b_imidazole_monC_3B-69.xyz ├── 10b_imidazole_trim_3B-69.xyz ├── 10c_imidazole_dimAB_3B-69.xyz ├── 10c_imidazole_dimAC_3B-69.xyz ├── 10c_imidazole_dimBC_3B-69.xyz ├── 10c_imidazole_monA_3B-69.xyz ├── 10c_imidazole_monB_3B-69.xyz ├── 10c_imidazole_monC_3B-69.xyz ├── 10c_imidazole_trim_3B-69.xyz ├── 10prod1_CR20.xyz ├── 10prod2_CR20.xyz ├── 10prod_DIE60.xyz ├── 10react_CR20.xyz ├── 10react_DIE60.xyz ├── 110_BzBz_PD32-1p7_dim_NBC10.xyz ├── 111_BzBz_PD32-1p8_dim_NBC10.xyz ├── 112_BzBz_PD32-1p9_dim_NBC10.xyz ├── 113_BzBz_PD32-2p0_dim_NBC10.xyz ├── 114_BzBz_PD32-2p2_dim_NBC10.xyz ├── 115_BzBz_PD32-2p4_dim_NBC10.xyz ├── 116_BzBz_PD32-2p6_dim_NBC10.xyz ├── 117_BzBz_PD32-2p8_dim_NBC10.xyz ├── 118_BzBz_PD32-3p0_dim_NBC10.xyz ├── 119_BzBz_PD34-0p2_dim_NBC10.xyz ├── 119_BzBz_PD34-0p2_monA_NBC10.xyz ├── 119_BzBz_PD34-0p2_monB_NBC10.xyz ├── 11_000-000-SP_Pentane14.xyz ├── 11_Benzene_Ne_2p800_BzDC215.xyz ├── 11_Benzene_Ne_2p900_BzDC215.xyz ├── 11_Benzene_Ne_3p000_BzDC215.xyz ├── 11_Benzene_Ne_3p100_BzDC215.xyz ├── 11_Benzene_Ne_3p150_BzDC215.xyz ├── 11_Benzene_Ne_3p200_BzDC215.xyz ├── 11_Benzene_Ne_3p250_BzDC215.xyz ├── 11_Benzene_Ne_3p300_BzDC215.xyz ├── 11_Benzene_Ne_3p350_BzDC215.xyz ├── 11_Benzene_Ne_3p400_BzDC215.xyz ├── 11_Benzene_Ne_3p500_BzDC215.xyz ├── 11_Benzene_Ne_3p600_BzDC215.xyz ├── 11_Benzene_Ne_3p700_BzDC215.xyz ├── 11_Benzene_Ne_3p800_BzDC215.xyz ├── 11_Benzene_Ne_3p900_BzDC215.xyz ├── 11_Benzene_Ne_4p000_BzDC215.xyz ├── 11_Benzene_Ne_4p250_BzDC215.xyz ├── 11_Benzene_Ne_4p500_BzDC215.xyz ├── 11_Benzene_Ne_4p750_BzDC215.xyz ├── 11_Benzene_Ne_5p000_BzDC215.xyz ├── 11_Benzene_Ne_5p500_BzDC215.xyz ├── 11_Benzene_Ne_6p000_BzDC215.xyz ├── 11_Benzene_Ne_6p500_BzDC215.xyz ├── 11_Benzene_Ne_7p000_BzDC215.xyz ├── 11_Benzene_Ne_monA_BzDC215.xyz ├── 11_Benzene_Ne_monB_BzDC215.xyz ├── 11_Br2_XB18.xyz ├── 11_C20BowlC5v_C20C24.xyz ├── 11_C4H4_Platonic24.xyz ├── 11_CH4_H2O_OH__C_dim_HW30.xyz ├── 11_CH4_H2O_OH__C_monA_HW30.xyz ├── 11_CH4_H2O_OH__C_monB_HW30.xyz ├── 11_Cl-_ClF_dim_Bauza30.xyz ├── 11_Cl-_ClF_monA_Bauza30.xyz ├── 11_Cl-_ClF_monB_Bauza30.xyz ├── 11_ClF-A_dim_CT20.xyz ├── 11_ClF-A_monA_CT20.xyz ├── 11_ClF-A_monB_CT20.xyz ├── 11_ClHNH3_HB49.xyz ├── 11_H2O1F_HW6F.xyz ├── 11_H2O1F_mon1_HW6F.xyz ├── 11_H2O1F_mon2_HW6F.xyz ├── 11_H2O_TA13.xyz ├── 11_H_AE18.xyz ├── 11_Isomer1_FmH2O10.xyz ├── 11_Isomer1_Styrene45.xyz ├── 11_Isomer1_mon10_FmH2O10.xyz ├── 11_Isomer1_mon11_FmH2O10.xyz ├── 11_Isomer1_mon1_FmH2O10.xyz ├── 11_Isomer1_mon2_FmH2O10.xyz ├── 11_Isomer1_mon3_FmH2O10.xyz ├── 11_Isomer1_mon4_FmH2O10.xyz ├── 11_Isomer1_mon5_FmH2O10.xyz ├── 11_Isomer1_mon6_FmH2O10.xyz ├── 11_Isomer1_mon7_FmH2O10.xyz ├── 11_Isomer1_mon8_FmH2O10.xyz ├── 11_Isomer1_mon9_FmH2O10.xyz ├── 11_NH2Br_HNBrBDE18.xyz ├── 11_Reactant1_EIE22.xyz ├── 11_Rxn1_TS_0cat_WCPT27.xyz ├── 11_ala29-big_dim_HSG.xyz ├── 11_ala29-big_monA_HSG.xyz ├── 11_ala29-big_monB_HSG.xyz ├── 11_boat-a_H2O16Rel5.xyz ├── 11_c2h4_BH76.xyz ├── 11_ch3oh_ch3sch3_cs_dim_DS14.xyz ├── 11_ch3oh_ch3sch3_cs_monA_DS14.xyz ├── 11_ch3oh_ch3sch3_cs_monB_DS14.xyz ├── 11_formaldehyde-ethene_0p9_dim_A21x12.xyz ├── 11_formaldehyde-ethene_1p0_dim_A21x12.xyz ├── 11_formaldehyde-ethene_1p1_dim_A21x12.xyz ├── 11_formaldehyde-ethene_1p2_dim_A21x12.xyz ├── 11_formaldehyde-ethene_1p4_dim_A21x12.xyz ├── 11_formaldehyde-ethene_1p6_dim_A21x12.xyz ├── 11_formaldehyde-ethene_2p0_dim_A21x12.xyz ├── 11_isomer1_H2O20Bind10.xyz ├── 11_isomer1_mon10_H2O20Bind10.xyz ├── 11_isomer1_mon11_H2O20Bind10.xyz ├── 11_isomer1_mon12_H2O20Bind10.xyz ├── 11_isomer1_mon13_H2O20Bind10.xyz ├── 11_isomer1_mon14_H2O20Bind10.xyz ├── 11_isomer1_mon15_H2O20Bind10.xyz ├── 11_isomer1_mon16_H2O20Bind10.xyz ├── 11_isomer1_mon17_H2O20Bind10.xyz ├── 11_isomer1_mon18_H2O20Bind10.xyz ├── 11_isomer1_mon19_H2O20Bind10.xyz ├── 11_isomer1_mon1_H2O20Bind10.xyz ├── 11_isomer1_mon20_H2O20Bind10.xyz ├── 11_isomer1_mon2_H2O20Bind10.xyz ├── 11_isomer1_mon3_H2O20Bind10.xyz ├── 11_isomer1_mon4_H2O20Bind10.xyz ├── 11_isomer1_mon5_H2O20Bind10.xyz ├── 11_isomer1_mon6_H2O20Bind10.xyz ├── 11_isomer1_mon7_H2O20Bind10.xyz ├── 11_isomer1_mon8_H2O20Bind10.xyz ├── 11_isomer1_mon9_H2O20Bind10.xyz ├── 11_methane_Alk44.xyz ├── 11a_isoxazole_dimAB_3B-69.xyz ├── 11a_isoxazole_dimAC_3B-69.xyz ├── 11a_isoxazole_dimBC_3B-69.xyz ├── 11a_isoxazole_monA_3B-69.xyz ├── 11a_isoxazole_monB_3B-69.xyz ├── 11a_isoxazole_monC_3B-69.xyz ├── 11a_isoxazole_trim_3B-69.xyz ├── 11b_isoxazole_dimAB_3B-69.xyz ├── 11b_isoxazole_dimAC_3B-69.xyz ├── 11b_isoxazole_dimBC_3B-69.xyz ├── 11b_isoxazole_monA_3B-69.xyz ├── 11b_isoxazole_monB_3B-69.xyz ├── 11b_isoxazole_monC_3B-69.xyz ├── 11b_isoxazole_trim_3B-69.xyz ├── 11c_isoxazole_dimAB_3B-69.xyz ├── 11c_isoxazole_dimAC_3B-69.xyz ├── 11c_isoxazole_dimBC_3B-69.xyz ├── 11c_isoxazole_monA_3B-69.xyz ├── 11c_isoxazole_monB_3B-69.xyz ├── 11c_isoxazole_monC_3B-69.xyz ├── 11c_isoxazole_trim_3B-69.xyz ├── 11prod1_CR20.xyz ├── 11prod2_CR20.xyz ├── 11prod_DIE60.xyz ├── 11react_CR20.xyz ├── 11react_DIE60.xyz ├── 120_BzBz_PD34-0p4_dim_NBC10.xyz ├── 121_BzBz_PD34-0p6_dim_NBC10.xyz ├── 122_BzBz_PD34-0p8_dim_NBC10.xyz ├── 123_BzBz_PD34-1p0_dim_NBC10.xyz ├── 124_BzBz_PD34-1p2_dim_NBC10.xyz ├── 125_BzBz_PD34-1p4_dim_NBC10.xyz ├── 126_BzBz_PD34-1p5_dim_NBC10.xyz ├── 127_BzBz_PD34-1p6_dim_NBC10.xyz ├── 128_BzBz_PD34-1p7_dim_NBC10.xyz ├── 129_BzBz_PD34-1p8_dim_NBC10.xyz ├── 12_080-000-TS_Pentane14.xyz ├── 12_Ar-HF_dim_NC15.xyz ├── 12_Ar-HF_monA_NC15.xyz ├── 12_Ar-HF_monB_NC15.xyz ├── 12_Benzene_HF_2p800_BzDC215.xyz ├── 12_Benzene_HF_2p900_BzDC215.xyz ├── 12_Benzene_HF_3p000_BzDC215.xyz ├── 12_Benzene_HF_3p100_BzDC215.xyz ├── 12_Benzene_HF_3p150_BzDC215.xyz ├── 12_Benzene_HF_3p200_BzDC215.xyz ├── 12_Benzene_HF_3p250_BzDC215.xyz ├── 12_Benzene_HF_3p300_BzDC215.xyz ├── 12_Benzene_HF_3p400_BzDC215.xyz ├── 12_Benzene_HF_3p500_BzDC215.xyz ├── 12_Benzene_HF_3p600_BzDC215.xyz ├── 12_Benzene_HF_3p700_BzDC215.xyz ├── 12_Benzene_HF_3p800_BzDC215.xyz ├── 12_Benzene_HF_3p900_BzDC215.xyz ├── 12_Benzene_HF_4p000_BzDC215.xyz ├── 12_Benzene_HF_4p250_BzDC215.xyz ├── 12_Benzene_HF_4p500_BzDC215.xyz ├── 12_Benzene_HF_4p750_BzDC215.xyz ├── 12_Benzene_HF_5p000_BzDC215.xyz ├── 12_Benzene_HF_5p500_BzDC215.xyz ├── 12_Benzene_HF_6p000_BzDC215.xyz ├── 12_Benzene_HF_6p500_BzDC215.xyz ├── 12_Benzene_HF_7p000_BzDC215.xyz ├── 12_Benzene_HF_monA_BzDC215.xyz ├── 12_Benzene_HF_monB_BzDC215.xyz ├── 12_Br-_ClF_dim_Bauza30.xyz ├── 12_Br-_ClF_monA_Bauza30.xyz ├── 12_Br-_ClF_monB_Bauza30.xyz ├── 12_Br2NCH_XB18.xyz ├── 12_C6H6_Platonic24.xyz ├── 12_CH4_H2O_CH__O_dim_HW30.xyz ├── 12_CH4_H2O_CH__O_monA_HW30.xyz ├── 12_CH4_H2O_CH__O_monB_HW30.xyz ├── 12_CNH2O_HB49.xyz ├── 12_ClF-B_dim_CT20.xyz ├── 12_ClF-B_monA_CT20.xyz ├── 12_ClF-B_monB_CT20.xyz ├── 12_H2O2Cl_HW6Cl.xyz ├── 12_H2O2Cl_mon1_HW6Cl.xyz ├── 12_H2O2Cl_mon2_HW6Cl.xyz ├── 12_H2O2Cl_mon3_HW6Cl.xyz ├── 12_H2O2F_HW6F.xyz ├── 12_H2O2F_mon1_HW6F.xyz ├── 12_H2O2F_mon2_HW6F.xyz ├── 12_H2O2F_mon3_HW6F.xyz ├── 12_HF_TA13.xyz ├── 12_He_AE18.xyz ├── 12_Isomer2_FmH2O10.xyz ├── 12_Isomer2_Styrene45.xyz ├── 12_Isomer2_mon10_FmH2O10.xyz ├── 12_Isomer2_mon11_FmH2O10.xyz ├── 12_Isomer2_mon1_FmH2O10.xyz ├── 12_Isomer2_mon2_FmH2O10.xyz ├── 12_Isomer2_mon3_FmH2O10.xyz ├── 12_Isomer2_mon4_FmH2O10.xyz ├── 12_Isomer2_mon5_FmH2O10.xyz ├── 12_Isomer2_mon6_FmH2O10.xyz ├── 12_Isomer2_mon7_FmH2O10.xyz ├── 12_Isomer2_mon8_FmH2O10.xyz ├── 12_Isomer2_mon9_FmH2O10.xyz ├── 12_NH2rad_HNBrBDE18.xyz ├── 12_Product1_EIE22.xyz ├── 12_Rxn2_TS_0cat_WCPT27.xyz ├── 12_ala128-small_dim_HSG.xyz ├── 12_ala128-small_monA_HSG.xyz ├── 12_ala128-small_monB_HSG.xyz ├── 12_boat-b_H2O16Rel5.xyz ├── 12_c2h5_lower_BH76.xyz ├── 12_ch3sch3_benzene_c2v_dim_DS14.xyz ├── 12_ch3sch3_benzene_c2v_monA_DS14.xyz ├── 12_ch3sch3_benzene_c2v_monB_DS14.xyz ├── 12_ethane_Alk44.xyz ├── 12_ethyne-dimer_0p9_dim_A21x12.xyz ├── 12_ethyne-dimer_1p0_dim_A21x12.xyz ├── 12_ethyne-dimer_1p1_dim_A21x12.xyz ├── 12_ethyne-dimer_1p2_dim_A21x12.xyz ├── 12_ethyne-dimer_1p4_dim_A21x12.xyz ├── 12_ethyne-dimer_1p6_dim_A21x12.xyz ├── 12_ethyne-dimer_2p0_dim_A21x12.xyz ├── 12_isomer2_H2O20Bind10.xyz ├── 12_isomer2_mon10_H2O20Bind10.xyz ├── 12_isomer2_mon11_H2O20Bind10.xyz ├── 12_isomer2_mon12_H2O20Bind10.xyz ├── 12_isomer2_mon13_H2O20Bind10.xyz ├── 12_isomer2_mon14_H2O20Bind10.xyz ├── 12_isomer2_mon15_H2O20Bind10.xyz ├── 12_isomer2_mon16_H2O20Bind10.xyz ├── 12_isomer2_mon17_H2O20Bind10.xyz ├── 12_isomer2_mon18_H2O20Bind10.xyz ├── 12_isomer2_mon19_H2O20Bind10.xyz ├── 12_isomer2_mon1_H2O20Bind10.xyz ├── 12_isomer2_mon20_H2O20Bind10.xyz ├── 12_isomer2_mon2_H2O20Bind10.xyz ├── 12_isomer2_mon3_H2O20Bind10.xyz ├── 12_isomer2_mon4_H2O20Bind10.xyz ├── 12_isomer2_mon5_H2O20Bind10.xyz ├── 12_isomer2_mon6_H2O20Bind10.xyz ├── 12_isomer2_mon7_H2O20Bind10.xyz ├── 12_isomer2_mon8_H2O20Bind10.xyz ├── 12_isomer2_mon9_H2O20Bind10.xyz ├── 12a_pyrazole_dimAB_3B-69.xyz ├── 12a_pyrazole_dimAC_3B-69.xyz ├── 12a_pyrazole_dimBC_3B-69.xyz ├── 12a_pyrazole_monA_3B-69.xyz ├── 12a_pyrazole_monB_3B-69.xyz ├── 12a_pyrazole_monC_3B-69.xyz ├── 12a_pyrazole_trim_3B-69.xyz ├── 12b_pyrazole_dimAB_3B-69.xyz ├── 12b_pyrazole_dimAC_3B-69.xyz ├── 12b_pyrazole_dimBC_3B-69.xyz ├── 12b_pyrazole_monA_3B-69.xyz ├── 12b_pyrazole_monB_3B-69.xyz ├── 12b_pyrazole_monC_3B-69.xyz ├── 12b_pyrazole_trim_3B-69.xyz ├── 12c_pyrazole_dimAB_3B-69.xyz ├── 12c_pyrazole_dimAC_3B-69.xyz ├── 12c_pyrazole_dimBC_3B-69.xyz ├── 12c_pyrazole_monA_3B-69.xyz ├── 12c_pyrazole_monB_3B-69.xyz ├── 12c_pyrazole_monC_3B-69.xyz ├── 12c_pyrazole_trim_3B-69.xyz ├── 12prod1_CR20.xyz ├── 12prod2_CR20.xyz ├── 12prod_DIE60.xyz ├── 12react_CR20.xyz ├── 12react_DIE60.xyz ├── 130_BzBz_PD34-1p9_dim_NBC10.xyz ├── 131_BzBz_PD34-2p0_dim_NBC10.xyz ├── 132_BzBz_PD34-2p2_dim_NBC10.xyz ├── 133_BzBz_PD34-2p4_dim_NBC10.xyz ├── 133_c_W4-11.xyz ├── 134_BzBz_PD34-2p6_dim_NBC10.xyz ├── 135_BzBz_PD34-2p8_dim_NBC10.xyz ├── 136_BzBz_PD34-3p0_dim_NBC10.xyz ├── 137_BzBz_PD36-0p2_dim_NBC10.xyz ├── 137_BzBz_PD36-0p2_monA_NBC10.xyz ├── 137_BzBz_PD36-0p2_monB_NBC10.xyz ├── 138_BzBz_PD36-0p4_dim_NBC10.xyz ├── 139_BzBz_PD36-0p6_dim_NBC10.xyz ├── 13_120-000-SP_Pentane14.xyz ├── 13_BH2_TA13.xyz ├── 13_Benzene_H2O_2p800_BzDC215.xyz ├── 13_Benzene_H2O_2p900_BzDC215.xyz ├── 13_Benzene_H2O_3p000_BzDC215.xyz ├── 13_Benzene_H2O_3p100_BzDC215.xyz ├── 13_Benzene_H2O_3p200_BzDC215.xyz ├── 13_Benzene_H2O_3p250_BzDC215.xyz ├── 13_Benzene_H2O_3p300_BzDC215.xyz ├── 13_Benzene_H2O_3p350_BzDC215.xyz ├── 13_Benzene_H2O_3p400_BzDC215.xyz ├── 13_Benzene_H2O_3p500_BzDC215.xyz ├── 13_Benzene_H2O_3p600_BzDC215.xyz ├── 13_Benzene_H2O_3p700_BzDC215.xyz ├── 13_Benzene_H2O_3p800_BzDC215.xyz ├── 13_Benzene_H2O_3p900_BzDC215.xyz ├── 13_Benzene_H2O_4p000_BzDC215.xyz ├── 13_Benzene_H2O_4p250_BzDC215.xyz ├── 13_Benzene_H2O_4p500_BzDC215.xyz ├── 13_Benzene_H2O_4p750_BzDC215.xyz ├── 13_Benzene_H2O_5p000_BzDC215.xyz ├── 13_Benzene_H2O_5p500_BzDC215.xyz ├── 13_Benzene_H2O_6p000_BzDC215.xyz ├── 13_Benzene_H2O_6p500_BzDC215.xyz ├── 13_Benzene_H2O_7p000_BzDC215.xyz ├── 13_Benzene_H2O_monA_BzDC215.xyz ├── 13_Benzene_H2O_monB_BzDC215.xyz ├── 13_Br2OCH2_XB18.xyz ├── 13_C2H6_H2O_CH__O_dim_HW30.xyz ├── 13_C2H6_H2O_CH__O_monA_HW30.xyz ├── 13_C2H6_H2O_CH__O_monB_HW30.xyz ├── 13_C3-He_dim_NC15.xyz ├── 13_C3-He_monA_NC15.xyz ├── 13_C3-He_monB_NC15.xyz ├── 13_C8H8_Platonic24.xyz ├── 13_CN_HB49.xyz ├── 13_Cl-_BrF_dim_Bauza30.xyz ├── 13_Cl-_BrF_monA_Bauza30.xyz ├── 13_Cl-_BrF_monB_Bauza30.xyz ├── 13_ClF-C_dim_CT20.xyz ├── 13_ClF-C_monA_CT20.xyz ├── 13_ClF-C_monB_CT20.xyz ├── 13_H2O3Cl_HW6Cl.xyz ├── 13_H2O3Cl_mon1_HW6Cl.xyz ├── 13_H2O3Cl_mon2_HW6Cl.xyz ├── 13_H2O3Cl_mon3_HW6Cl.xyz ├── 13_H2O3Cl_mon4_HW6Cl.xyz ├── 13_H2O3F_HW6F.xyz ├── 13_H2O3F_mon1_HW6F.xyz ├── 13_H2O3F_mon2_HW6F.xyz ├── 13_H2O3F_mon3_HW6F.xyz ├── 13_H2O3F_mon4_HW6F.xyz ├── 13_Isomer3_FmH2O10.xyz ├── 13_Isomer3_Styrene45.xyz ├── 13_Isomer3_mon10_FmH2O10.xyz ├── 13_Isomer3_mon11_FmH2O10.xyz ├── 13_Isomer3_mon1_FmH2O10.xyz ├── 13_Isomer3_mon2_FmH2O10.xyz ├── 13_Isomer3_mon3_FmH2O10.xyz ├── 13_Isomer3_mon4_FmH2O10.xyz ├── 13_Isomer3_mon5_FmH2O10.xyz ├── 13_Isomer3_mon6_FmH2O10.xyz ├── 13_Isomer3_mon7_FmH2O10.xyz ├── 13_Isomer3_mon8_FmH2O10.xyz ├── 13_Isomer3_mon9_FmH2O10.xyz ├── 13_Li_AE18.xyz ├── 13_NCH_FCl_XB51.xyz ├── 13_NH3Br+_HNBrBDE18.xyz ├── 13_Reactant2_EIE22.xyz ├── 13_Rxn3_TS_0cat_WCPT27.xyz ├── 13_ammonia-ethene_0p9_dim_A21x12.xyz ├── 13_ammonia-ethene_1p0_dim_A21x12.xyz ├── 13_ammonia-ethene_1p1_dim_A21x12.xyz ├── 13_ammonia-ethene_1p2_dim_A21x12.xyz ├── 13_ammonia-ethene_1p4_dim_A21x12.xyz ├── 13_ammonia-ethene_1p6_dim_A21x12.xyz ├── 13_ammonia-ethene_2p0_dim_A21x12.xyz ├── 13_anti-boat_H2O16Rel5.xyz ├── 13_arg8_dim_HSG.xyz ├── 13_arg8_monA_HSG.xyz ├── 13_arg8_monB_HSG.xyz ├── 13_c2h5ts_BH76.xyz ├── 13_ch3sh_benzene_cs_dim_DS14.xyz ├── 13_ch3sh_benzene_cs_monA_DS14.xyz ├── 13_ch3sh_benzene_cs_monB_DS14.xyz ├── 13_isomer3_H2O20Bind10.xyz ├── 13_isomer3_mon10_H2O20Bind10.xyz ├── 13_isomer3_mon11_H2O20Bind10.xyz ├── 13_isomer3_mon12_H2O20Bind10.xyz ├── 13_isomer3_mon13_H2O20Bind10.xyz ├── 13_isomer3_mon14_H2O20Bind10.xyz ├── 13_isomer3_mon15_H2O20Bind10.xyz ├── 13_isomer3_mon16_H2O20Bind10.xyz ├── 13_isomer3_mon17_H2O20Bind10.xyz ├── 13_isomer3_mon18_H2O20Bind10.xyz ├── 13_isomer3_mon19_H2O20Bind10.xyz ├── 13_isomer3_mon1_H2O20Bind10.xyz ├── 13_isomer3_mon20_H2O20Bind10.xyz ├── 13_isomer3_mon2_H2O20Bind10.xyz ├── 13_isomer3_mon3_H2O20Bind10.xyz ├── 13_isomer3_mon4_H2O20Bind10.xyz ├── 13_isomer3_mon5_H2O20Bind10.xyz ├── 13_isomer3_mon6_H2O20Bind10.xyz ├── 13_isomer3_mon7_H2O20Bind10.xyz ├── 13_isomer3_mon8_H2O20Bind10.xyz ├── 13_isomer3_mon9_H2O20Bind10.xyz ├── 13_propane_Alk44.xyz ├── 13a_triazine_dimAB_3B-69.xyz ├── 13a_triazine_dimAC_3B-69.xyz ├── 13a_triazine_dimBC_3B-69.xyz ├── 13a_triazine_monA_3B-69.xyz ├── 13a_triazine_monB_3B-69.xyz ├── 13a_triazine_monC_3B-69.xyz ├── 13a_triazine_trim_3B-69.xyz ├── 13b_triazine_dimAB_3B-69.xyz ├── 13b_triazine_dimAC_3B-69.xyz ├── 13b_triazine_dimBC_3B-69.xyz ├── 13b_triazine_monA_3B-69.xyz ├── 13b_triazine_monB_3B-69.xyz ├── 13b_triazine_monC_3B-69.xyz ├── 13b_triazine_trim_3B-69.xyz ├── 13c_triazine_dimAB_3B-69.xyz ├── 13c_triazine_dimAC_3B-69.xyz ├── 13c_triazine_dimBC_3B-69.xyz ├── 13c_triazine_monA_3B-69.xyz ├── 13c_triazine_monB_3B-69.xyz ├── 13c_triazine_monC_3B-69.xyz ├── 13c_triazine_trim_3B-69.xyz ├── 13prod1_CR20.xyz ├── 13prod2_CR20.xyz ├── 13prod_DIE60.xyz ├── 13react_CR20.xyz ├── 13react_CRBH20.xyz ├── 13react_DIE60.xyz ├── 13ts_CRBH20.xyz ├── 140_BzBz_PD36-0p8_dim_NBC10.xyz ├── 141_BzBz_PD36-1p0_dim_NBC10.xyz ├── 142_BzBz_PD36-1p2_dim_NBC10.xyz ├── 143_BzBz_PD36-1p4_dim_NBC10.xyz ├── 144_BzBz_PD36-1p5_dim_NBC10.xyz ├── 145_BzBz_PD36-1p6_dim_NBC10.xyz ├── 146_BzBz_PD36-1p7_dim_NBC10.xyz ├── 147_BzBz_PD36-1p8_dim_NBC10.xyz ├── 148_BzBz_PD36-1p9_dim_NBC10.xyz ├── 149_BzBz_PD36-2p0_dim_NBC10.xyz ├── 14_120-070-TS_Pentane14.xyz ├── 14_4444-a_H2O16Rel5.xyz ├── 14_Be_AE18.xyz ├── 14_Benzene_NH3_3p000_BzDC215.xyz ├── 14_Benzene_NH3_3p100_BzDC215.xyz ├── 14_Benzene_NH3_3p200_BzDC215.xyz ├── 14_Benzene_NH3_3p300_BzDC215.xyz ├── 14_Benzene_NH3_3p400_BzDC215.xyz ├── 14_Benzene_NH3_3p500_BzDC215.xyz ├── 14_Benzene_NH3_3p550_BzDC215.xyz ├── 14_Benzene_NH3_3p600_BzDC215.xyz ├── 14_Benzene_NH3_3p650_BzDC215.xyz ├── 14_Benzene_NH3_3p700_BzDC215.xyz ├── 14_Benzene_NH3_3p800_BzDC215.xyz ├── 14_Benzene_NH3_3p900_BzDC215.xyz ├── 14_Benzene_NH3_4p000_BzDC215.xyz ├── 14_Benzene_NH3_4p250_BzDC215.xyz ├── 14_Benzene_NH3_4p500_BzDC215.xyz ├── 14_Benzene_NH3_4p750_BzDC215.xyz ├── 14_Benzene_NH3_5p000_BzDC215.xyz ├── 14_Benzene_NH3_5p500_BzDC215.xyz ├── 14_Benzene_NH3_6p000_BzDC215.xyz ├── 14_Benzene_NH3_6p500_BzDC215.xyz ├── 14_Benzene_NH3_7p000_BzDC215.xyz ├── 14_Benzene_NH3_monA_BzDC215.xyz ├── 14_Benzene_NH3_monB_BzDC215.xyz ├── 14_Br-_BrF_dim_Bauza30.xyz ├── 14_Br-_BrF_monA_Bauza30.xyz ├── 14_Br-_BrF_monB_Bauza30.xyz ├── 14_C10H10_Platonic24.xyz ├── 14_C20CageD2h_C20C24.xyz ├── 14_C2H6_H2O_OH__C_dim_HW30.xyz ├── 14_C2H6_H2O_OH__C_monA_HW30.xyz ├── 14_C2H6_H2O_OH__C_monB_HW30.xyz ├── 14_CH3_TA13.xyz ├── 14_COHF_HB49.xyz ├── 14_ClF-D_dim_CT20.xyz ├── 14_ClF-D_monA_CT20.xyz ├── 14_ClF-D_monB_CT20.xyz ├── 14_H2-CO_dim_NC15.xyz ├── 14_H2-CO_monA_NC15.xyz ├── 14_H2-CO_monB_NC15.xyz ├── 14_H2O4Cl_HW6Cl.xyz ├── 14_H2O4Cl_mon1_HW6Cl.xyz ├── 14_H2O4Cl_mon2_HW6Cl.xyz ├── 14_H2O4Cl_mon3_HW6Cl.xyz ├── 14_H2O4Cl_mon4_HW6Cl.xyz ├── 14_H2O4Cl_mon5_HW6Cl.xyz ├── 14_H2O4F_HW6F.xyz ├── 14_H2O4F_mon1_HW6F.xyz ├── 14_H2O4F_mon2_HW6F.xyz ├── 14_H2O4F_mon3_HW6F.xyz ├── 14_H2O4F_mon4_HW6F.xyz ├── 14_H2O4F_mon5_HW6F.xyz ├── 14_Isomer4_FmH2O10.xyz ├── 14_Isomer4_Styrene45.xyz ├── 14_Isomer4_mon10_FmH2O10.xyz ├── 14_Isomer4_mon11_FmH2O10.xyz ├── 14_Isomer4_mon1_FmH2O10.xyz ├── 14_Isomer4_mon2_FmH2O10.xyz ├── 14_Isomer4_mon3_FmH2O10.xyz ├── 14_Isomer4_mon4_FmH2O10.xyz ├── 14_Isomer4_mon5_FmH2O10.xyz ├── 14_Isomer4_mon6_FmH2O10.xyz ├── 14_Isomer4_mon7_FmH2O10.xyz ├── 14_Isomer4_mon8_FmH2O10.xyz ├── 14_Isomer4_mon9_FmH2O10.xyz ├── 14_NCH_NBS_XB51.xyz ├── 14_NH3rad+_HNBrBDE18.xyz ├── 14_Product2_EIE22.xyz ├── 14_Rxn4_TS_0cat_WCPT27.xyz ├── 14_ash26-asp125_dim_HSG.xyz ├── 14_ash26-asp125_monA_HSG.xyz ├── 14_ash26-asp125_monB_HSG.xyz ├── 14_butane_Alk44.xyz ├── 14_ch3sh_dimer_dim_DS14.xyz ├── 14_ch3sh_dimer_monA_DS14.xyz ├── 14_ch3sh_dimer_monB_DS14.xyz ├── 14_ethene-dimer_0p9_dim_A21x12.xyz ├── 14_ethene-dimer_1p0_dim_A21x12.xyz ├── 14_ethene-dimer_1p1_dim_A21x12.xyz ├── 14_ethene-dimer_1p2_dim_A21x12.xyz ├── 14_ethene-dimer_1p4_dim_A21x12.xyz ├── 14_ethene-dimer_1p6_dim_A21x12.xyz ├── 14_ethene-dimer_2p0_dim_A21x12.xyz ├── 14_isomer4_H2O20Bind10.xyz ├── 14_isomer4_mon10_H2O20Bind10.xyz ├── 14_isomer4_mon11_H2O20Bind10.xyz ├── 14_isomer4_mon12_H2O20Bind10.xyz ├── 14_isomer4_mon13_H2O20Bind10.xyz ├── 14_isomer4_mon14_H2O20Bind10.xyz ├── 14_isomer4_mon15_H2O20Bind10.xyz ├── 14_isomer4_mon16_H2O20Bind10.xyz ├── 14_isomer4_mon17_H2O20Bind10.xyz ├── 14_isomer4_mon18_H2O20Bind10.xyz ├── 14_isomer4_mon19_H2O20Bind10.xyz ├── 14_isomer4_mon1_H2O20Bind10.xyz ├── 14_isomer4_mon20_H2O20Bind10.xyz ├── 14_isomer4_mon2_H2O20Bind10.xyz ├── 14_isomer4_mon3_H2O20Bind10.xyz ├── 14_isomer4_mon4_H2O20Bind10.xyz ├── 14_isomer4_mon5_H2O20Bind10.xyz ├── 14_isomer4_mon6_H2O20Bind10.xyz ├── 14_isomer4_mon7_H2O20Bind10.xyz ├── 14_isomer4_mon8_H2O20Bind10.xyz ├── 14_isomer4_mon9_H2O20Bind10.xyz ├── 14a_cyanoacetamide_dimAB_3B-69.xyz ├── 14a_cyanoacetamide_dimAC_3B-69.xyz ├── 14a_cyanoacetamide_dimBC_3B-69.xyz ├── 14a_cyanoacetamide_monA_3B-69.xyz ├── 14a_cyanoacetamide_monB_3B-69.xyz ├── 14a_cyanoacetamide_monC_3B-69.xyz ├── 14a_cyanoacetamide_trim_3B-69.xyz ├── 14b_cyanoacetamide_dimAB_3B-69.xyz ├── 14b_cyanoacetamide_dimAC_3B-69.xyz ├── 14b_cyanoacetamide_dimBC_3B-69.xyz ├── 14b_cyanoacetamide_monA_3B-69.xyz ├── 14b_cyanoacetamide_monB_3B-69.xyz ├── 14b_cyanoacetamide_monC_3B-69.xyz ├── 14b_cyanoacetamide_trim_3B-69.xyz ├── 14c_cyanoacetamide_dimAB_3B-69.xyz ├── 14c_cyanoacetamide_dimAC_3B-69.xyz ├── 14c_cyanoacetamide_dimBC_3B-69.xyz ├── 14c_cyanoacetamide_monA_3B-69.xyz ├── 14c_cyanoacetamide_monB_3B-69.xyz ├── 14c_cyanoacetamide_monC_3B-69.xyz ├── 14c_cyanoacetamide_trim_3B-69.xyz ├── 14prod1_CR20.xyz ├── 14prod2_CR20.xyz ├── 14prod_DIE60.xyz ├── 14react_CR20.xyz ├── 14react_CRBH20.xyz ├── 14react_DIE60.xyz ├── 14ts_CRBH20.xyz ├── 150_BzBz_PD36-2p2_dim_NBC10.xyz ├── 151_BzBz_PD36-2p4_dim_NBC10.xyz ├── 152_BzBz_PD36-2p6_dim_NBC10.xyz ├── 153_BzBz_PD36-2p8_dim_NBC10.xyz ├── 154_BzBz_PD36-3p0_dim_NBC10.xyz ├── 155_BzBz_S-3p2_dim_NBC10.xyz ├── 155_BzBz_S-3p2_monA_NBC10.xyz ├── 155_BzBz_S-3p2_monB_NBC10.xyz ├── 156_BzBz_S-3p3_dim_NBC10.xyz ├── 157_BzBz_S-3p4_dim_NBC10.xyz ├── 158_BzBz_S-3p5_dim_NBC10.xyz ├── 159_BzBz_S-3p6_dim_NBC10.xyz ├── 15_120-120-SP_Pentane14.xyz ├── 15_4444-b_H2O16Rel5.xyz ├── 15_B_AE18.xyz ├── 15_Benzene_CH4_3p000_BzDC215.xyz ├── 15_Benzene_CH4_3p100_BzDC215.xyz ├── 15_Benzene_CH4_3p200_BzDC215.xyz ├── 15_Benzene_CH4_3p300_BzDC215.xyz ├── 15_Benzene_CH4_3p400_BzDC215.xyz ├── 15_Benzene_CH4_3p500_BzDC215.xyz ├── 15_Benzene_CH4_3p600_BzDC215.xyz ├── 15_Benzene_CH4_3p700_BzDC215.xyz ├── 15_Benzene_CH4_3p750_BzDC215.xyz ├── 15_Benzene_CH4_3p800_BzDC215.xyz ├── 15_Benzene_CH4_3p850_BzDC215.xyz ├── 15_Benzene_CH4_3p900_BzDC215.xyz ├── 15_Benzene_CH4_4p000_BzDC215.xyz ├── 15_Benzene_CH4_4p250_BzDC215.xyz ├── 15_Benzene_CH4_4p500_BzDC215.xyz ├── 15_Benzene_CH4_4p750_BzDC215.xyz ├── 15_Benzene_CH4_5p000_BzDC215.xyz ├── 15_Benzene_CH4_5p500_BzDC215.xyz ├── 15_Benzene_CH4_6p000_BzDC215.xyz ├── 15_Benzene_CH4_6p500_BzDC215.xyz ├── 15_Benzene_CH4_7p000_BzDC215.xyz ├── 15_Benzene_CH4_monA_BzDC215.xyz ├── 15_Benzene_CH4_monB_BzDC215.xyz ├── 15_C12H12_Platonic24.xyz ├── 15_C20CageD3h_C20C24.xyz ├── 15_C2H2_H2O_CH__O_dim_HW30.xyz ├── 15_C2H2_H2O_CH__O_monA_HW30.xyz ├── 15_C2H2_H2O_CH__O_monB_HW30.xyz ├── 15_CO+_TA13.xyz ├── 15_CO_HB49.xyz ├── 15_ClF-E_dim_CT20.xyz ├── 15_ClF-E_monA_CT20.xyz ├── 15_ClF-E_monB_CT20.xyz ├── 15_H2-H2_dim_NC15.xyz ├── 15_H2-H2_monA_NC15.xyz ├── 15_H2-H2_monB_NC15.xyz ├── 15_H2O5Cl_HW6Cl.xyz ├── 15_H2O5Cl_mon1_HW6Cl.xyz ├── 15_H2O5Cl_mon2_HW6Cl.xyz ├── 15_H2O5Cl_mon3_HW6Cl.xyz ├── 15_H2O5Cl_mon4_HW6Cl.xyz ├── 15_H2O5Cl_mon5_HW6Cl.xyz ├── 15_H2O5Cl_mon6_HW6Cl.xyz ├── 15_H2O5F_HW6F.xyz ├── 15_H2O5F_mon1_HW6F.xyz ├── 15_H2O5F_mon2_HW6F.xyz ├── 15_H2O5F_mon3_HW6F.xyz ├── 15_H2O5F_mon4_HW6F.xyz ├── 15_H2O5F_mon5_HW6F.xyz ├── 15_H2O5F_mon6_HW6F.xyz ├── 15_H3N_ClF_dim_Bauza30.xyz ├── 15_H3N_ClF_monA_Bauza30.xyz ├── 15_H3N_ClF_monB_Bauza30.xyz ├── 15_Isomer5_FmH2O10.xyz ├── 15_Isomer5_Styrene45.xyz ├── 15_Isomer5_mon10_FmH2O10.xyz ├── 15_Isomer5_mon11_FmH2O10.xyz ├── 15_Isomer5_mon1_FmH2O10.xyz ├── 15_Isomer5_mon2_FmH2O10.xyz ├── 15_Isomer5_mon3_FmH2O10.xyz ├── 15_Isomer5_mon4_FmH2O10.xyz ├── 15_Isomer5_mon5_FmH2O10.xyz ├── 15_Isomer5_mon6_FmH2O10.xyz ├── 15_Isomer5_mon7_FmH2O10.xyz ├── 15_Isomer5_mon8_FmH2O10.xyz ├── 15_Isomer5_mon9_FmH2O10.xyz ├── 15_MeNHBr_HNBrBDE18.xyz ├── 15_Reactant3_EIE22.xyz ├── 15_Rxn5_TS_0cat_WCPT27.xyz ├── 15_asp129-big_dim_HSG.xyz ├── 15_asp129-big_monA_HSG.xyz ├── 15_asp129-big_monB_HSG.xyz ├── 15_ch3sh_h2co_dim_DS14.xyz ├── 15_ch3sh_h2co_monA_DS14.xyz ├── 15_ch3sh_h2co_monB_DS14.xyz ├── 15_isomer5_H2O20Bind10.xyz ├── 15_isomer5_mon10_H2O20Bind10.xyz ├── 15_isomer5_mon11_H2O20Bind10.xyz ├── 15_isomer5_mon12_H2O20Bind10.xyz ├── 15_isomer5_mon13_H2O20Bind10.xyz ├── 15_isomer5_mon14_H2O20Bind10.xyz ├── 15_isomer5_mon15_H2O20Bind10.xyz ├── 15_isomer5_mon16_H2O20Bind10.xyz ├── 15_isomer5_mon17_H2O20Bind10.xyz ├── 15_isomer5_mon18_H2O20Bind10.xyz ├── 15_isomer5_mon19_H2O20Bind10.xyz ├── 15_isomer5_mon1_H2O20Bind10.xyz ├── 15_isomer5_mon20_H2O20Bind10.xyz ├── 15_isomer5_mon2_H2O20Bind10.xyz ├── 15_isomer5_mon3_H2O20Bind10.xyz ├── 15_isomer5_mon4_H2O20Bind10.xyz ├── 15_isomer5_mon5_H2O20Bind10.xyz ├── 15_isomer5_mon6_H2O20Bind10.xyz ├── 15_isomer5_mon7_H2O20Bind10.xyz ├── 15_isomer5_mon8_H2O20Bind10.xyz ├── 15_isomer5_mon9_H2O20Bind10.xyz ├── 15_methane-ethene_0p9_dim_A21x12.xyz ├── 15_methane-ethene_1p0_dim_A21x12.xyz ├── 15_methane-ethene_1p1_dim_A21x12.xyz ├── 15_methane-ethene_1p2_dim_A21x12.xyz ├── 15_methane-ethene_1p4_dim_A21x12.xyz ├── 15_methane-ethene_1p6_dim_A21x12.xyz ├── 15_methane-ethene_2p0_dim_A21x12.xyz ├── 15_pentane_Alk44.xyz ├── 15a_cyanoguanidine_dimAB_3B-69.xyz ├── 15a_cyanoguanidine_dimAC_3B-69.xyz ├── 15a_cyanoguanidine_dimBC_3B-69.xyz ├── 15a_cyanoguanidine_monA_3B-69.xyz ├── 15a_cyanoguanidine_monB_3B-69.xyz ├── 15a_cyanoguanidine_monC_3B-69.xyz ├── 15a_cyanoguanidine_trim_3B-69.xyz ├── 15b_cyanoguanidine_dimAB_3B-69.xyz ├── 15b_cyanoguanidine_dimAC_3B-69.xyz ├── 15b_cyanoguanidine_dimBC_3B-69.xyz ├── 15b_cyanoguanidine_monA_3B-69.xyz ├── 15b_cyanoguanidine_monB_3B-69.xyz ├── 15b_cyanoguanidine_monC_3B-69.xyz ├── 15b_cyanoguanidine_trim_3B-69.xyz ├── 15c_cyanoguanidine_dimAB_3B-69.xyz ├── 15c_cyanoguanidine_dimAC_3B-69.xyz ├── 15c_cyanoguanidine_dimBC_3B-69.xyz ├── 15c_cyanoguanidine_monA_3B-69.xyz ├── 15c_cyanoguanidine_monB_3B-69.xyz ├── 15c_cyanoguanidine_monC_3B-69.xyz ├── 15c_cyanoguanidine_trim_3B-69.xyz ├── 15prod1_CR20.xyz ├── 15prod2_CR20.xyz ├── 15prod_DIE60.xyz ├── 15react_CR20.xyz ├── 15react_CRBH20.xyz ├── 15react_DIE60.xyz ├── 15ts_CRBH20.xyz ├── 160_BzBz_S-3p7_dim_NBC10.xyz ├── 161_BzBz_S-3p8_dim_NBC10.xyz ├── 162_BzBz_S-3p9_dim_NBC10.xyz ├── 163_BzBz_S-4p0_dim_NBC10.xyz ├── 164_BzBz_S-4p1_dim_NBC10.xyz ├── 165_BzBz_S-4p2_dim_NBC10.xyz ├── 166_BzBz_S-4p5_dim_NBC10.xyz ├── 167_BzBz_S-5p0_dim_NBC10.xyz ├── 168_BzBz_S-5p5_dim_NBC10.xyz ├── 169_BzBz_S-6p0_dim_NBC10.xyz ├── 16_180-000-TS_Pentane14.xyz ├── 16_Benzene_Ar_3p000_BzDC215.xyz ├── 16_Benzene_Ar_3p100_BzDC215.xyz ├── 16_Benzene_Ar_3p200_BzDC215.xyz ├── 16_Benzene_Ar_3p300_BzDC215.xyz ├── 16_Benzene_Ar_3p400_BzDC215.xyz ├── 16_Benzene_Ar_3p450_BzDC215.xyz ├── 16_Benzene_Ar_3p500_BzDC215.xyz ├── 16_Benzene_Ar_3p525_BzDC215.xyz ├── 16_Benzene_Ar_3p550_BzDC215.xyz ├── 16_Benzene_Ar_3p600_BzDC215.xyz ├── 16_Benzene_Ar_3p700_BzDC215.xyz ├── 16_Benzene_Ar_3p800_BzDC215.xyz ├── 16_Benzene_Ar_3p900_BzDC215.xyz ├── 16_Benzene_Ar_4p000_BzDC215.xyz ├── 16_Benzene_Ar_4p250_BzDC215.xyz ├── 16_Benzene_Ar_4p500_BzDC215.xyz ├── 16_Benzene_Ar_4p750_BzDC215.xyz ├── 16_Benzene_Ar_5p000_BzDC215.xyz ├── 16_Benzene_Ar_5p500_BzDC215.xyz ├── 16_Benzene_Ar_6p000_BzDC215.xyz ├── 16_Benzene_Ar_7p000_BzDC215.xyz ├── 16_Benzene_Ar_monA_BzDC215.xyz ├── 16_Benzene_Ar_monB_BzDC215.xyz ├── 16_C20H20_Platonic24.xyz ├── 16_C20RingC10h_C20C24.xyz ├── 16_C2H2_H2O_CH__Op_dim_HW30.xyz ├── 16_C2H2_H2O_CH__Op_monA_HW30.xyz ├── 16_C2H2_H2O_CH__Op_monB_HW30.xyz ├── 16_C_AE18.xyz ├── 16_FHNH3_HB49.xyz ├── 16_H2-HCl_dim_NC15.xyz ├── 16_H2-HCl_monA_NC15.xyz ├── 16_H2-HCl_monB_NC15.xyz ├── 16_H2O6Cl_HW6Cl.xyz ├── 16_H2O6Cl_mon1_HW6Cl.xyz ├── 16_H2O6Cl_mon2_HW6Cl.xyz ├── 16_H2O6Cl_mon3_HW6Cl.xyz ├── 16_H2O6Cl_mon4_HW6Cl.xyz ├── 16_H2O6Cl_mon5_HW6Cl.xyz ├── 16_H2O6Cl_mon6_HW6Cl.xyz ├── 16_H2O6Cl_mon7_HW6Cl.xyz ├── 16_H2O6F_HW6F.xyz ├── 16_H2O6F_mon1_HW6F.xyz ├── 16_H2O6F_mon2_HW6F.xyz ├── 16_H2O6F_mon3_HW6F.xyz ├── 16_H2O6F_mon4_HW6F.xyz ├── 16_H2O6F_mon5_HW6F.xyz ├── 16_H2O6F_mon6_HW6F.xyz ├── 16_H2O6F_mon7_HW6F.xyz ├── 16_H3N_BrF_dim_Bauza30.xyz ├── 16_H3N_BrF_monA_Bauza30.xyz ├── 16_H3N_BrF_monB_Bauza30.xyz ├── 16_HF-A_dim_CT20.xyz ├── 16_HF-A_monA_CT20.xyz ├── 16_HF-A_monB_CT20.xyz ├── 16_Isomer6_FmH2O10.xyz ├── 16_Isomer6_Styrene45.xyz ├── 16_Isomer6_mon10_FmH2O10.xyz ├── 16_Isomer6_mon11_FmH2O10.xyz ├── 16_Isomer6_mon1_FmH2O10.xyz ├── 16_Isomer6_mon2_FmH2O10.xyz ├── 16_Isomer6_mon3_FmH2O10.xyz ├── 16_Isomer6_mon4_FmH2O10.xyz ├── 16_Isomer6_mon5_FmH2O10.xyz ├── 16_Isomer6_mon6_FmH2O10.xyz ├── 16_Isomer6_mon7_FmH2O10.xyz ├── 16_Isomer6_mon8_FmH2O10.xyz ├── 16_Isomer6_mon9_FmH2O10.xyz ├── 16_MeNHrad_HNBrBDE18.xyz ├── 16_NCH_PhBr_XB51.xyz ├── 16_NH2_TA13.xyz ├── 16_Product3_EIE22.xyz ├── 16_Rxn6_TS_0cat_WCPT27.xyz ├── 16_asp130_dim_HSG.xyz ├── 16_asp130_monA_HSG.xyz ├── 16_asp130_monB_HSG.xyz ├── 16_borane-methane_0p9_dim_A21x12.xyz ├── 16_borane-methane_1p0_dim_A21x12.xyz ├── 16_borane-methane_1p1_dim_A21x12.xyz ├── 16_borane-methane_1p2_dim_A21x12.xyz ├── 16_borane-methane_1p4_dim_A21x12.xyz ├── 16_borane-methane_1p6_dim_A21x12.xyz ├── 16_borane-methane_2p0_dim_A21x12.xyz ├── 16_ch3sh_h2o_cs_dim_DS14.xyz ├── 16_ch3sh_h2o_cs_monA_DS14.xyz ├── 16_ch3sh_h2o_cs_monB_DS14.xyz ├── 16_hexane_Alk44.xyz ├── 16_isomer6_H2O20Bind10.xyz ├── 16_isomer6_mon10_H2O20Bind10.xyz ├── 16_isomer6_mon11_H2O20Bind10.xyz ├── 16_isomer6_mon12_H2O20Bind10.xyz ├── 16_isomer6_mon13_H2O20Bind10.xyz ├── 16_isomer6_mon14_H2O20Bind10.xyz ├── 16_isomer6_mon15_H2O20Bind10.xyz ├── 16_isomer6_mon16_H2O20Bind10.xyz ├── 16_isomer6_mon17_H2O20Bind10.xyz ├── 16_isomer6_mon18_H2O20Bind10.xyz ├── 16_isomer6_mon19_H2O20Bind10.xyz ├── 16_isomer6_mon1_H2O20Bind10.xyz ├── 16_isomer6_mon20_H2O20Bind10.xyz ├── 16_isomer6_mon2_H2O20Bind10.xyz ├── 16_isomer6_mon3_H2O20Bind10.xyz ├── 16_isomer6_mon4_H2O20Bind10.xyz ├── 16_isomer6_mon5_H2O20Bind10.xyz ├── 16_isomer6_mon6_H2O20Bind10.xyz ├── 16_isomer6_mon7_H2O20Bind10.xyz ├── 16_isomer6_mon8_H2O20Bind10.xyz ├── 16_isomer6_mon9_H2O20Bind10.xyz ├── 16a_triazolidinedione_dimAB_3B-69.xyz ├── 16a_triazolidinedione_dimAC_3B-69.xyz ├── 16a_triazolidinedione_dimBC_3B-69.xyz ├── 16a_triazolidinedione_monA_3B-69.xyz ├── 16a_triazolidinedione_monB_3B-69.xyz ├── 16a_triazolidinedione_monC_3B-69.xyz ├── 16a_triazolidinedione_trim_3B-69.xyz ├── 16b_triazolidinedione_dimAB_3B-69.xyz ├── 16b_triazolidinedione_dimAC_3B-69.xyz ├── 16b_triazolidinedione_dimBC_3B-69.xyz ├── 16b_triazolidinedione_monA_3B-69.xyz ├── 16b_triazolidinedione_monB_3B-69.xyz ├── 16b_triazolidinedione_monC_3B-69.xyz ├── 16b_triazolidinedione_trim_3B-69.xyz ├── 16c_triazolidinedione_dimAB_3B-69.xyz ├── 16c_triazolidinedione_dimAC_3B-69.xyz ├── 16c_triazolidinedione_dimBC_3B-69.xyz ├── 16c_triazolidinedione_monA_3B-69.xyz ├── 16c_triazolidinedione_monB_3B-69.xyz ├── 16c_triazolidinedione_monC_3B-69.xyz ├── 16c_triazolidinedione_trim_3B-69.xyz ├── 16prod1_CR20.xyz ├── 16prod2_CR20.xyz ├── 16prod_DIE60.xyz ├── 16react_CR20.xyz ├── 16react_CRBH20.xyz ├── 16react_DIE60.xyz ├── 16ts_CRBH20.xyz ├── 170_BzBz_S-6p5_dim_NBC10.xyz ├── 171_BzBz_S-10p0_dim_NBC10.xyz ├── 172_BzBz_T-4p4_dim_NBC10.xyz ├── 172_BzBz_T-4p4_monA_NBC10.xyz ├── 172_BzBz_T-4p4_monB_NBC10.xyz ├── 173_BzBz_T-4p5_dim_NBC10.xyz ├── 174_BzBz_T-4p6_dim_NBC10.xyz ├── 175_BzBz_T-4p7_dim_NBC10.xyz ├── 176_BzBz_T-4p8_dim_NBC10.xyz ├── 177_BzBz_T-4p9_dim_NBC10.xyz ├── 178_BzBz_T-5p0_dim_NBC10.xyz ├── 179_BzBz_T-5p1_dim_NBC10.xyz ├── 17_240-070-TS_Pentane14.xyz ├── 17_Benzene_HCl_3p100_BzDC215.xyz ├── 17_Benzene_HCl_3p200_BzDC215.xyz ├── 17_Benzene_HCl_3p300_BzDC215.xyz ├── 17_Benzene_HCl_3p400_BzDC215.xyz ├── 17_Benzene_HCl_3p500_BzDC215.xyz ├── 17_Benzene_HCl_3p550_BzDC215.xyz ├── 17_Benzene_HCl_3p600_BzDC215.xyz ├── 17_Benzene_HCl_3p650_BzDC215.xyz ├── 17_Benzene_HCl_3p700_BzDC215.xyz ├── 17_Benzene_HCl_3p800_BzDC215.xyz ├── 17_Benzene_HCl_3p900_BzDC215.xyz ├── 17_Benzene_HCl_4p000_BzDC215.xyz ├── 17_Benzene_HCl_4p250_BzDC215.xyz ├── 17_Benzene_HCl_4p500_BzDC215.xyz ├── 17_Benzene_HCl_4p750_BzDC215.xyz ├── 17_Benzene_HCl_5p000_BzDC215.xyz ├── 17_Benzene_HCl_5p500_BzDC215.xyz ├── 17_Benzene_HCl_6p000_BzDC215.xyz ├── 17_Benzene_HCl_6p500_BzDC215.xyz ├── 17_Benzene_HCl_7p000_BzDC215.xyz ├── 17_Benzene_HCl_monA_BzDC215.xyz ├── 17_Benzene_HCl_monB_BzDC215.xyz ├── 17_C24CageOh_C20C24.xyz ├── 17_C2H2_H2O_OH__pi_dim_HW30.xyz ├── 17_C2H2_H2O_OH__pi_monA_HW30.xyz ├── 17_C2H2_H2O_OH__pi_monB_HW30.xyz ├── 17_Cl-_SF2_dim_Bauza30.xyz ├── 17_Cl-_SF2_monA_Bauza30.xyz ├── 17_Cl-_SF2_monB_Bauza30.xyz ├── 17_ClBr_XB18.xyz ├── 17_H2-HF_dim_NC15.xyz ├── 17_H2-HF_monA_NC15.xyz ├── 17_H2-HF_monB_NC15.xyz ├── 17_H2OH2O_HB49.xyz ├── 17_HF-B_dim_CT20.xyz ├── 17_HF-B_monA_CT20.xyz ├── 17_HF-B_monB_CT20.xyz ├── 17_H_Platonic24.xyz ├── 17_Isomer7_FmH2O10.xyz ├── 17_Isomer7_Styrene45.xyz ├── 17_Isomer7_mon10_FmH2O10.xyz ├── 17_Isomer7_mon11_FmH2O10.xyz ├── 17_Isomer7_mon1_FmH2O10.xyz ├── 17_Isomer7_mon2_FmH2O10.xyz ├── 17_Isomer7_mon3_FmH2O10.xyz ├── 17_Isomer7_mon4_FmH2O10.xyz ├── 17_Isomer7_mon5_FmH2O10.xyz ├── 17_Isomer7_mon6_FmH2O10.xyz ├── 17_Isomer7_mon7_FmH2O10.xyz ├── 17_Isomer7_mon8_FmH2O10.xyz ├── 17_Isomer7_mon9_FmH2O10.xyz ├── 17_MeNH2Br+_HNBrBDE18.xyz ├── 17_NH3+_TA13.xyz ├── 17_N_AE18.xyz ├── 17_Reactant4_EIE22.xyz ├── 17_Rxn7_TS_0cat_WCPT27.xyz ├── 17_ch3sh_nh3_cs_dim_DS14.xyz ├── 17_ch3sh_nh3_cs_monA_DS14.xyz ├── 17_ch3sh_nh3_cs_monB_DS14.xyz ├── 17_gly28-big_dim_HSG.xyz ├── 17_gly28-big_monA_HSG.xyz ├── 17_gly28-big_monB_HSG.xyz ├── 17_heptane_Alk44.xyz ├── 17_isomer7_H2O20Bind10.xyz ├── 17_isomer7_mon10_H2O20Bind10.xyz ├── 17_isomer7_mon11_H2O20Bind10.xyz ├── 17_isomer7_mon12_H2O20Bind10.xyz ├── 17_isomer7_mon13_H2O20Bind10.xyz ├── 17_isomer7_mon14_H2O20Bind10.xyz ├── 17_isomer7_mon15_H2O20Bind10.xyz ├── 17_isomer7_mon16_H2O20Bind10.xyz ├── 17_isomer7_mon17_H2O20Bind10.xyz ├── 17_isomer7_mon18_H2O20Bind10.xyz ├── 17_isomer7_mon19_H2O20Bind10.xyz ├── 17_isomer7_mon1_H2O20Bind10.xyz ├── 17_isomer7_mon20_H2O20Bind10.xyz ├── 17_isomer7_mon2_H2O20Bind10.xyz ├── 17_isomer7_mon3_H2O20Bind10.xyz ├── 17_isomer7_mon4_H2O20Bind10.xyz ├── 17_isomer7_mon5_H2O20Bind10.xyz ├── 17_isomer7_mon6_H2O20Bind10.xyz ├── 17_isomer7_mon7_H2O20Bind10.xyz ├── 17_isomer7_mon8_H2O20Bind10.xyz ├── 17_isomer7_mon9_H2O20Bind10.xyz ├── 17_methane-ethane_0p9_dim_A21x12.xyz ├── 17_methane-ethane_1p0_dim_A21x12.xyz ├── 17_methane-ethane_1p1_dim_A21x12.xyz ├── 17_methane-ethane_1p2_dim_A21x12.xyz ├── 17_methane-ethane_1p4_dim_A21x12.xyz ├── 17_methane-ethane_1p6_dim_A21x12.xyz ├── 17_methane-ethane_2p0_dim_A21x12.xyz ├── 17a_oxazolidinone_dimAB_3B-69.xyz ├── 17a_oxazolidinone_dimAC_3B-69.xyz ├── 17a_oxazolidinone_dimBC_3B-69.xyz ├── 17a_oxazolidinone_monA_3B-69.xyz ├── 17a_oxazolidinone_monB_3B-69.xyz ├── 17a_oxazolidinone_monC_3B-69.xyz ├── 17a_oxazolidinone_trim_3B-69.xyz ├── 17b_oxazolidinone_dimAB_3B-69.xyz ├── 17b_oxazolidinone_dimAC_3B-69.xyz ├── 17b_oxazolidinone_dimBC_3B-69.xyz ├── 17b_oxazolidinone_monA_3B-69.xyz ├── 17b_oxazolidinone_monB_3B-69.xyz ├── 17b_oxazolidinone_monC_3B-69.xyz ├── 17b_oxazolidinone_trim_3B-69.xyz ├── 17c_oxazolidinone_dimAB_3B-69.xyz ├── 17c_oxazolidinone_dimAC_3B-69.xyz ├── 17c_oxazolidinone_dimBC_3B-69.xyz ├── 17c_oxazolidinone_monA_3B-69.xyz ├── 17c_oxazolidinone_monB_3B-69.xyz ├── 17c_oxazolidinone_monC_3B-69.xyz ├── 17c_oxazolidinone_trim_3B-69.xyz ├── 17prod1_CR20.xyz ├── 17prod2_CR20.xyz ├── 17prod_DIE60.xyz ├── 17react_CR20.xyz ├── 17react_CRBH20.xyz ├── 17react_DIE60.xyz ├── 17ts_CRBH20.xyz ├── 180_BzBz_T-5p2_dim_NBC10.xyz ├── 181_BzBz_T-5p3_dim_NBC10.xyz ├── 182_BzBz_T-5p4_dim_NBC10.xyz ├── 183_BzBz_T-5p5_dim_NBC10.xyz ├── 184_BzBz_T-5p6_dim_NBC10.xyz ├── 185_BzBz_T-6p0_dim_NBC10.xyz ├── 186_BzBz_T-6p5_dim_NBC10.xyz ├── 187_BzBz_T-7p0_dim_NBC10.xyz ├── 188_BzBz_T-7p5_dim_NBC10.xyz ├── 189_BzBz_T-8p0_dim_NBC10.xyz ├── 189_h_W4-11.xyz ├── 18_240-120-SP_Pentane14.xyz ├── 18_Benzene_H2S_3p200_BzDC215.xyz ├── 18_Benzene_H2S_3p300_BzDC215.xyz ├── 18_Benzene_H2S_3p400_BzDC215.xyz ├── 18_Benzene_H2S_3p500_BzDC215.xyz ├── 18_Benzene_H2S_3p600_BzDC215.xyz ├── 18_Benzene_H2S_3p650_BzDC215.xyz ├── 18_Benzene_H2S_3p700_BzDC215.xyz ├── 18_Benzene_H2S_3p750_BzDC215.xyz ├── 18_Benzene_H2S_3p800_BzDC215.xyz ├── 18_Benzene_H2S_3p850_BzDC215.xyz ├── 18_Benzene_H2S_3p900_BzDC215.xyz ├── 18_Benzene_H2S_4p000_BzDC215.xyz ├── 18_Benzene_H2S_4p100_BzDC215.xyz ├── 18_Benzene_H2S_4p200_BzDC215.xyz ├── 18_Benzene_H2S_4p300_BzDC215.xyz ├── 18_Benzene_H2S_4p500_BzDC215.xyz ├── 18_Benzene_H2S_4p750_BzDC215.xyz ├── 18_Benzene_H2S_5p000_BzDC215.xyz ├── 18_Benzene_H2S_5p250_BzDC215.xyz ├── 18_Benzene_H2S_5p500_BzDC215.xyz ├── 18_Benzene_H2S_6p000_BzDC215.xyz ├── 18_Benzene_H2S_6p500_BzDC215.xyz ├── 18_Benzene_H2S_7p000_BzDC215.xyz ├── 18_Benzene_H2S_monA_BzDC215.xyz ├── 18_Benzene_H2S_monB_BzDC215.xyz ├── 18_Br-_SF2_dim_Bauza30.xyz ├── 18_Br-_SF2_monA_Bauza30.xyz ├── 18_Br-_SF2_monB_Bauza30.xyz ├── 18_C24CageD3d_C20C24.xyz ├── 18_C2H2_H2O_OH2__pi_dim_HW30.xyz ├── 18_C2H2_H2O_OH2__pi_monA_HW30.xyz ├── 18_C2H2_H2O_OH2__pi_monB_HW30.xyz ├── 18_C_Platonic24.xyz ├── 18_ClBrNCH_XB18.xyz ├── 18_H2ONH3_HB49.xyz ├── 18_HF-C_dim_CT20.xyz ├── 18_HF-C_monA_CT20.xyz ├── 18_HF-C_monB_CT20.xyz ├── 18_Isomer8_FmH2O10.xyz ├── 18_Isomer8_Styrene45.xyz ├── 18_Isomer8_mon10_FmH2O10.xyz ├── 18_Isomer8_mon11_FmH2O10.xyz ├── 18_Isomer8_mon1_FmH2O10.xyz ├── 18_Isomer8_mon2_FmH2O10.xyz ├── 18_Isomer8_mon3_FmH2O10.xyz ├── 18_Isomer8_mon4_FmH2O10.xyz ├── 18_Isomer8_mon5_FmH2O10.xyz ├── 18_Isomer8_mon6_FmH2O10.xyz ├── 18_Isomer8_mon7_FmH2O10.xyz ├── 18_Isomer8_mon8_FmH2O10.xyz ├── 18_Isomer8_mon9_FmH2O10.xyz ├── 18_MeNH2rad+_HNBrBDE18.xyz ├── 18_OH_TA13.xyz ├── 18_O_AE18.xyz ├── 18_Product4_EIE22.xyz ├── 18_Rxn8_TS_0cat_WCPT27.xyz ├── 18_formamide_ch3sh_dim_DS14.xyz ├── 18_formamide_ch3sh_monA_DS14.xyz ├── 18_formamide_ch3sh_monB_DS14.xyz ├── 18_gly50-ring-big_dim_HSG.xyz ├── 18_gly50-ring-big_monA_HSG.xyz ├── 18_gly50-ring-big_monB_HSG.xyz ├── 18_isomer8_H2O20Bind10.xyz ├── 18_isomer8_mon10_H2O20Bind10.xyz ├── 18_isomer8_mon11_H2O20Bind10.xyz ├── 18_isomer8_mon12_H2O20Bind10.xyz ├── 18_isomer8_mon13_H2O20Bind10.xyz ├── 18_isomer8_mon14_H2O20Bind10.xyz ├── 18_isomer8_mon15_H2O20Bind10.xyz ├── 18_isomer8_mon16_H2O20Bind10.xyz ├── 18_isomer8_mon17_H2O20Bind10.xyz ├── 18_isomer8_mon18_H2O20Bind10.xyz ├── 18_isomer8_mon19_H2O20Bind10.xyz ├── 18_isomer8_mon1_H2O20Bind10.xyz ├── 18_isomer8_mon20_H2O20Bind10.xyz ├── 18_isomer8_mon2_H2O20Bind10.xyz ├── 18_isomer8_mon3_H2O20Bind10.xyz ├── 18_isomer8_mon4_H2O20Bind10.xyz ├── 18_isomer8_mon5_H2O20Bind10.xyz ├── 18_isomer8_mon6_H2O20Bind10.xyz ├── 18_isomer8_mon7_H2O20Bind10.xyz ├── 18_isomer8_mon8_H2O20Bind10.xyz ├── 18_isomer8_mon9_H2O20Bind10.xyz ├── 18_methane-ethane_0p9_dim_A21x12.xyz ├── 18_methane-ethane_1p0_dim_A21x12.xyz ├── 18_methane-ethane_1p1_dim_A21x12.xyz ├── 18_methane-ethane_1p2_dim_A21x12.xyz ├── 18_methane-ethane_1p4_dim_A21x12.xyz ├── 18_methane-ethane_1p6_dim_A21x12.xyz ├── 18_methane-ethane_2p0_dim_A21x12.xyz ├── 18_octane_Alk44.xyz ├── 18a_succinic_anhydride_dimAB_3B-69.xyz ├── 18a_succinic_anhydride_dimAC_3B-69.xyz ├── 18a_succinic_anhydride_dimBC_3B-69.xyz ├── 18a_succinic_anhydride_monA_3B-69.xyz ├── 18a_succinic_anhydride_monB_3B-69.xyz ├── 18a_succinic_anhydride_monC_3B-69.xyz ├── 18a_succinic_anhydride_trim_3B-69.xyz ├── 18b_succinic_anhydride_dimAB_3B-69.xyz ├── 18b_succinic_anhydride_dimAC_3B-69.xyz ├── 18b_succinic_anhydride_dimBC_3B-69.xyz ├── 18b_succinic_anhydride_monA_3B-69.xyz ├── 18b_succinic_anhydride_monB_3B-69.xyz ├── 18b_succinic_anhydride_monC_3B-69.xyz ├── 18b_succinic_anhydride_trim_3B-69.xyz ├── 18c_succinic_anhydride_dimAB_3B-69.xyz ├── 18c_succinic_anhydride_dimAC_3B-69.xyz ├── 18c_succinic_anhydride_dimBC_3B-69.xyz ├── 18c_succinic_anhydride_monA_3B-69.xyz ├── 18c_succinic_anhydride_monB_3B-69.xyz ├── 18c_succinic_anhydride_monC_3B-69.xyz ├── 18c_succinic_anhydride_trim_3B-69.xyz ├── 18prod1_CR20.xyz ├── 18prod2_CR20.xyz ├── 18prod_DIE60.xyz ├── 18react_CR20.xyz ├── 18react_CRBH20.xyz ├── 18react_DIE60.xyz ├── 18ts_CRBH20.xyz ├── 190_BzH2S-3p2_dim_NBC10.xyz ├── 190_BzH2S-3p2_monA_NBC10.xyz ├── 190_BzH2S-3p2_monB_NBC10.xyz ├── 191_BzH2S-3p4_dim_NBC10.xyz ├── 192_BzH2S-3p5_dim_NBC10.xyz ├── 193_BzH2S-3p6_dim_NBC10.xyz ├── 194_BzH2S-3p7_dim_NBC10.xyz ├── 195_BzH2S-3p8_dim_NBC10.xyz ├── 196_BzH2S-3p9_dim_NBC10.xyz ├── 197_BzH2S-4p0_dim_NBC10.xyz ├── 198_BzH2S-4p1_dim_NBC10.xyz ├── 199_BzH2S-4p2_dim_NBC10.xyz ├── 19_240-180-TS_Pentane14.xyz ├── 19_Benzene_PH3_3p400_BzDC215.xyz ├── 19_Benzene_PH3_3p500_BzDC215.xyz ├── 19_Benzene_PH3_3p600_BzDC215.xyz ├── 19_Benzene_PH3_3p700_BzDC215.xyz ├── 19_Benzene_PH3_3p800_BzDC215.xyz ├── 19_Benzene_PH3_3p900_BzDC215.xyz ├── 19_Benzene_PH3_4p000_BzDC215.xyz ├── 19_Benzene_PH3_4p050_BzDC215.xyz ├── 19_Benzene_PH3_4p100_BzDC215.xyz ├── 19_Benzene_PH3_4p200_BzDC215.xyz ├── 19_Benzene_PH3_4p300_BzDC215.xyz ├── 19_Benzene_PH3_4p400_BzDC215.xyz ├── 19_Benzene_PH3_4p500_BzDC215.xyz ├── 19_Benzene_PH3_4p750_BzDC215.xyz ├── 19_Benzene_PH3_5p000_BzDC215.xyz ├── 19_Benzene_PH3_5p250_BzDC215.xyz ├── 19_Benzene_PH3_5p500_BzDC215.xyz ├── 19_Benzene_PH3_6p000_BzDC215.xyz ├── 19_Benzene_PH3_6p500_BzDC215.xyz ├── 19_Benzene_PH3_7p000_BzDC215.xyz ├── 19_Benzene_PH3_monA_BzDC215.xyz ├── 19_Benzene_PH3_monB_BzDC215.xyz ├── 19_C24CoronaD6h_C20C24.xyz ├── 19_C4H2_H2O_CH__O_dim_HW30.xyz ├── 19_C4H2_H2O_CH__O_monA_HW30.xyz ├── 19_C4H2_H2O_CH__O_monB_HW30.xyz ├── 19_Cl-_SeF2_dim_Bauza30.xyz ├── 19_Cl-_SeF2_monA_Bauza30.xyz ├── 19_Cl-_SeF2_monB_Bauza30.xyz ├── 19_ClBrOCH2_XB18.xyz ├── 19_F_AE18.xyz ├── 19_H2O-Al_TA13.xyz ├── 19_H2O_HB49.xyz ├── 19_H2_Platonic24.xyz ├── 19_HF-D_dim_CT20.xyz ├── 19_HF-D_monA_CT20.xyz ├── 19_HF-D_monB_CT20.xyz ├── 19_He-H2_dim_NC15.xyz ├── 19_He-H2_monA_NC15.xyz ├── 19_He-H2_monB_NC15.xyz ├── 19_Isomer9_FmH2O10.xyz ├── 19_Isomer9_Styrene45.xyz ├── 19_Isomer9_mon10_FmH2O10.xyz ├── 19_Isomer9_mon11_FmH2O10.xyz ├── 19_Isomer9_mon1_FmH2O10.xyz ├── 19_Isomer9_mon2_FmH2O10.xyz ├── 19_Isomer9_mon3_FmH2O10.xyz ├── 19_Isomer9_mon4_FmH2O10.xyz ├── 19_Isomer9_mon5_FmH2O10.xyz ├── 19_Isomer9_mon6_FmH2O10.xyz ├── 19_Isomer9_mon7_FmH2O10.xyz ├── 19_Isomer9_mon8_FmH2O10.xyz ├── 19_Isomer9_mon9_FmH2O10.xyz ├── 19_Me2NBr_HNBrBDE18.xyz ├── 19_NH3_FBr_XB51.xyz ├── 19_Reactant5_EIE22.xyz ├── 19_Rxn9_TS_0cat_WCPT27.xyz ├── 19_gly50-v1_dim_HSG.xyz ├── 19_gly50-v1_monA_HSG.xyz ├── 19_gly50-v1_monB_HSG.xyz ├── 19_h2o_ch3sch3_cs_dim_DS14.xyz ├── 19_h2o_ch3sch3_cs_monA_DS14.xyz ├── 19_h2o_ch3sch3_cs_monB_DS14.xyz ├── 19_isobutane_Alk44.xyz ├── 19_isomer9_H2O20Bind10.xyz ├── 19_isomer9_mon10_H2O20Bind10.xyz ├── 19_isomer9_mon11_H2O20Bind10.xyz ├── 19_isomer9_mon12_H2O20Bind10.xyz ├── 19_isomer9_mon13_H2O20Bind10.xyz ├── 19_isomer9_mon14_H2O20Bind10.xyz ├── 19_isomer9_mon15_H2O20Bind10.xyz ├── 19_isomer9_mon16_H2O20Bind10.xyz ├── 19_isomer9_mon17_H2O20Bind10.xyz ├── 19_isomer9_mon18_H2O20Bind10.xyz ├── 19_isomer9_mon19_H2O20Bind10.xyz ├── 19_isomer9_mon1_H2O20Bind10.xyz ├── 19_isomer9_mon20_H2O20Bind10.xyz ├── 19_isomer9_mon2_H2O20Bind10.xyz ├── 19_isomer9_mon3_H2O20Bind10.xyz ├── 19_isomer9_mon4_H2O20Bind10.xyz ├── 19_isomer9_mon5_H2O20Bind10.xyz ├── 19_isomer9_mon6_H2O20Bind10.xyz ├── 19_isomer9_mon7_H2O20Bind10.xyz ├── 19_isomer9_mon8_H2O20Bind10.xyz ├── 19_isomer9_mon9_H2O20Bind10.xyz ├── 19a_benzene_dimAB_3B-69.xyz ├── 19a_benzene_dimAC_3B-69.xyz ├── 19a_benzene_dimBC_3B-69.xyz ├── 19a_benzene_monA_3B-69.xyz ├── 19a_benzene_monB_3B-69.xyz ├── 19a_benzene_monC_3B-69.xyz ├── 19a_benzene_trim_3B-69.xyz ├── 19b_benzene_dimAB_3B-69.xyz ├── 19b_benzene_dimAC_3B-69.xyz ├── 19b_benzene_dimBC_3B-69.xyz ├── 19b_benzene_monA_3B-69.xyz ├── 19b_benzene_monB_3B-69.xyz ├── 19b_benzene_monC_3B-69.xyz ├── 19b_benzene_trim_3B-69.xyz ├── 19c_benzene_dimAB_3B-69.xyz ├── 19c_benzene_dimAC_3B-69.xyz ├── 19c_benzene_dimBC_3B-69.xyz ├── 19c_benzene_monA_3B-69.xyz ├── 19c_benzene_monB_3B-69.xyz ├── 19c_benzene_monC_3B-69.xyz ├── 19c_benzene_trim_3B-69.xyz ├── 19prod1_CR20.xyz ├── 19prod2_CR20.xyz ├── 19prod_DIE60.xyz ├── 19react_CR20.xyz ├── 19react_CRBH20.xyz ├── 19react_DIE60.xyz ├── 19ts_CRBH20.xyz ├── 1prod1_CR20.xyz ├── 1prod2_CR20.xyz ├── 1prod_DIE60.xyz ├── 1react_CR20.xyz ├── 1react_DIE60.xyz ├── 200_BzH2S-4p5_dim_NBC10.xyz ├── 201_BzH2S-4p75_dim_NBC10.xyz ├── 202_BzH2S-5p0_dim_NBC10.xyz ├── 203_BzH2S-5p25_dim_NBC10.xyz ├── 204_BzH2S-5p5_dim_NBC10.xyz ├── 205_BzH2S-6p0_dim_NBC10.xyz ├── 206_BzH2S-6p5_dim_NBC10.xyz ├── 207_BzH2S-7p0_dim_NBC10.xyz ├── 208_BzH2S-7p5_dim_NBC10.xyz ├── 209_BzMe-3p2_dim_NBC10.xyz ├── 209_BzMe-3p2_monA_NBC10.xyz ├── 209_BzMe-3p2_monB_NBC10.xyz ├── 20_280-080-TS_Pentane14.xyz ├── 20_Ar-methane_0p9_dim_A21x12.xyz ├── 20_Ar-methane_1p0_dim_A21x12.xyz ├── 20_Ar-methane_1p1_dim_A21x12.xyz ├── 20_Ar-methane_1p2_dim_A21x12.xyz ├── 20_Ar-methane_1p4_dim_A21x12.xyz ├── 20_Ar-methane_1p6_dim_A21x12.xyz ├── 20_Ar-methane_2p0_dim_A21x12.xyz ├── 20_Benzene_SiH4_3p600_BzDC215.xyz ├── 20_Benzene_SiH4_3p700_BzDC215.xyz ├── 20_Benzene_SiH4_3p800_BzDC215.xyz ├── 20_Benzene_SiH4_3p900_BzDC215.xyz ├── 20_Benzene_SiH4_4p000_BzDC215.xyz ├── 20_Benzene_SiH4_4p100_BzDC215.xyz ├── 20_Benzene_SiH4_4p150_BzDC215.xyz ├── 20_Benzene_SiH4_4p200_BzDC215.xyz ├── 20_Benzene_SiH4_4p250_BzDC215.xyz ├── 20_Benzene_SiH4_4p300_BzDC215.xyz ├── 20_Benzene_SiH4_4p400_BzDC215.xyz ├── 20_Benzene_SiH4_4p500_BzDC215.xyz ├── 20_Benzene_SiH4_4p750_BzDC215.xyz ├── 20_Benzene_SiH4_5p000_BzDC215.xyz ├── 20_Benzene_SiH4_5p250_BzDC215.xyz ├── 20_Benzene_SiH4_5p500_BzDC215.xyz ├── 20_Benzene_SiH4_6p000_BzDC215.xyz ├── 20_Benzene_SiH4_6p500_BzDC215.xyz ├── 20_Benzene_SiH4_7p000_BzDC215.xyz ├── 20_Benzene_SiH4_monA_BzDC215.xyz ├── 20_Benzene_SiH4_monB_BzDC215.xyz ├── 20_Br-_SeF2_dim_Bauza30.xyz ├── 20_Br-_SeF2_monA_Bauza30.xyz ├── 20_Br-_SeF2_monB_Bauza30.xyz ├── 20_C24RingC12h_C20C24.xyz ├── 20_C4H2_H2O_CH__Op_dim_HW30.xyz ├── 20_C4H2_H2O_CH__Op_monA_HW30.xyz ├── 20_C4H2_H2O_CH__Op_monB_HW30.xyz ├── 20_CH4_Platonic24.xyz ├── 20_H2O-Be+_TA13.xyz ├── 20_H3OH2O_HB49.xyz ├── 20_HF-E_dim_CT20.xyz ├── 20_HF-E_monA_CT20.xyz ├── 20_HF-E_monB_CT20.xyz ├── 20_Isomer10_FmH2O10.xyz ├── 20_Isomer10_Styrene45.xyz ├── 20_Isomer10_mon10_FmH2O10.xyz ├── 20_Isomer10_mon11_FmH2O10.xyz ├── 20_Isomer10_mon1_FmH2O10.xyz ├── 20_Isomer10_mon2_FmH2O10.xyz ├── 20_Isomer10_mon3_FmH2O10.xyz ├── 20_Isomer10_mon4_FmH2O10.xyz ├── 20_Isomer10_mon5_FmH2O10.xyz ├── 20_Isomer10_mon6_FmH2O10.xyz ├── 20_Isomer10_mon7_FmH2O10.xyz ├── 20_Isomer10_mon8_FmH2O10.xyz ├── 20_Isomer10_mon9_FmH2O10.xyz ├── 20_Me2Nrad_HNBrBDE18.xyz ├── 20_NH3_FCl_XB51.xyz ├── 20_Ne_AE18.xyz ├── 20_Product5_EIE22.xyz ├── 20_Rxn1_TS_1cat_WCPT27.xyz ├── 20_ch3f_BH76.xyz ├── 20_gly127_dim_HSG.xyz ├── 20_gly127_monA_HSG.xyz ├── 20_gly127_monB_HSG.xyz ├── 20_h2o_dimer_cs_dim_DS14.xyz ├── 20_h2o_dimer_cs_monA_DS14.xyz ├── 20_h2o_dimer_cs_monB_DS14.xyz ├── 20_isomer10_H2O20Bind10.xyz ├── 20_isomer10_mon10_H2O20Bind10.xyz ├── 20_isomer10_mon11_H2O20Bind10.xyz ├── 20_isomer10_mon12_H2O20Bind10.xyz ├── 20_isomer10_mon13_H2O20Bind10.xyz ├── 20_isomer10_mon14_H2O20Bind10.xyz ├── 20_isomer10_mon15_H2O20Bind10.xyz ├── 20_isomer10_mon16_H2O20Bind10.xyz ├── 20_isomer10_mon17_H2O20Bind10.xyz ├── 20_isomer10_mon18_H2O20Bind10.xyz ├── 20_isomer10_mon19_H2O20Bind10.xyz ├── 20_isomer10_mon1_H2O20Bind10.xyz ├── 20_isomer10_mon20_H2O20Bind10.xyz ├── 20_isomer10_mon2_H2O20Bind10.xyz ├── 20_isomer10_mon3_H2O20Bind10.xyz ├── 20_isomer10_mon4_H2O20Bind10.xyz ├── 20_isomer10_mon5_H2O20Bind10.xyz ├── 20_isomer10_mon6_H2O20Bind10.xyz ├── 20_isomer10_mon7_H2O20Bind10.xyz ├── 20_isomer10_mon8_H2O20Bind10.xyz ├── 20_isomer10_mon9_H2O20Bind10.xyz ├── 20_isopentane_Alk44.xyz ├── 20a_maleic_acid_dimAB_3B-69.xyz ├── 20a_maleic_acid_dimAC_3B-69.xyz ├── 20a_maleic_acid_dimBC_3B-69.xyz ├── 20a_maleic_acid_monA_3B-69.xyz ├── 20a_maleic_acid_monB_3B-69.xyz ├── 20a_maleic_acid_monC_3B-69.xyz ├── 20a_maleic_acid_trim_3B-69.xyz ├── 20b_maleic_acid_dimAB_3B-69.xyz ├── 20b_maleic_acid_dimAC_3B-69.xyz ├── 20b_maleic_acid_dimBC_3B-69.xyz ├── 20b_maleic_acid_monA_3B-69.xyz ├── 20b_maleic_acid_monB_3B-69.xyz ├── 20b_maleic_acid_monC_3B-69.xyz ├── 20b_maleic_acid_trim_3B-69.xyz ├── 20c_maleic_acid_dimAB_3B-69.xyz ├── 20c_maleic_acid_dimAC_3B-69.xyz ├── 20c_maleic_acid_dimBC_3B-69.xyz ├── 20c_maleic_acid_monA_3B-69.xyz ├── 20c_maleic_acid_monB_3B-69.xyz ├── 20c_maleic_acid_monC_3B-69.xyz ├── 20c_maleic_acid_trim_3B-69.xyz ├── 20prod1_CR20.xyz ├── 20prod2_CR20.xyz ├── 20prod_DIE60.xyz ├── 20react_CR20.xyz ├── 20react_DIE60.xyz ├── 210_BzMe-3p3_dim_NBC10.xyz ├── 211_BzMe-3p4_dim_NBC10.xyz ├── 212_BzMe-3p5_dim_NBC10.xyz ├── 213_BzMe-3p6_dim_NBC10.xyz ├── 214_BzMe-3p7_dim_NBC10.xyz ├── 215_BzMe-3p8_dim_NBC10.xyz ├── 216_BzMe-3p9_dim_NBC10.xyz ├── 217_BzMe-4p0_dim_NBC10.xyz ├── 218_BzMe-4p1_dim_NBC10.xyz ├── 219_BzMe-4p2_dim_NBC10.xyz ├── 21_Ar-ethene_0p9_dim_A21x12.xyz ├── 21_Ar-ethene_1p0_dim_A21x12.xyz ├── 21_Ar-ethene_1p1_dim_A21x12.xyz ├── 21_Ar-ethene_1p2_dim_A21x12.xyz ├── 21_Ar-ethene_1p4_dim_A21x12.xyz ├── 21_Ar-ethene_1p6_dim_A21x12.xyz ├── 21_Ar-ethene_2p0_dim_A21x12.xyz ├── 21_C2H6_Platonic24.xyz ├── 21_C4H2_H2O_OH__pi_dim_HW30.xyz ├── 21_C4H2_H2O_OH__pi_monA_HW30.xyz ├── 21_C4H2_H2O_OH__pi_monB_HW30.xyz ├── 21_GG_Pentane14.xyz ├── 21_H2O-Br_TA13.xyz ├── 21_H3N_SF2_dim_Bauza30.xyz ├── 21_H3N_SF2_monA_Bauza30.xyz ├── 21_H3N_SF2_monB_Bauza30.xyz ├── 21_H3O_HB49.xyz ├── 21_HNC-A_dim_CT20.xyz ├── 21_HNC-A_monA_CT20.xyz ├── 21_HNC-A_monB_CT20.xyz ├── 21_He-LiH_dim_NC15.xyz ├── 21_He-LiH_monA_NC15.xyz ├── 21_He-LiH_monB_NC15.xyz ├── 21_Isomer11_Styrene45.xyz ├── 21_Me2NHBr+_HNBrBDE18.xyz ├── 21_NH3_NBS_XB51.xyz ├── 21_Na_AE18.xyz ├── 21_Reactant6_EIE22.xyz ├── 21_Rxn2_TS_1cat_WCPT27.xyz ├── 21_ch3fclts_BH76.xyz ├── 21_gly148_dim_HSG.xyz ├── 21_gly148_monA_HSG.xyz ├── 21_gly148_monB_HSG.xyz ├── 21_h2o_h2s_cs_dim_DS14.xyz ├── 21_h2o_h2s_cs_monA_DS14.xyz ├── 21_h2o_h2s_cs_monB_DS14.xyz ├── 21_isohexane_Alk44.xyz ├── 21a_p-benzoquinone_dimAB_3B-69.xyz ├── 21a_p-benzoquinone_dimAC_3B-69.xyz ├── 21a_p-benzoquinone_dimBC_3B-69.xyz ├── 21a_p-benzoquinone_monA_3B-69.xyz ├── 21a_p-benzoquinone_monB_3B-69.xyz ├── 21a_p-benzoquinone_monC_3B-69.xyz ├── 21a_p-benzoquinone_trim_3B-69.xyz ├── 21b_p-benzoquinone_dimAB_3B-69.xyz ├── 21b_p-benzoquinone_dimAC_3B-69.xyz ├── 21b_p-benzoquinone_dimBC_3B-69.xyz ├── 21b_p-benzoquinone_monA_3B-69.xyz ├── 21b_p-benzoquinone_monB_3B-69.xyz ├── 21b_p-benzoquinone_monC_3B-69.xyz ├── 21b_p-benzoquinone_trim_3B-69.xyz ├── 21c_p-benzoquinone_dimAB_3B-69.xyz ├── 21c_p-benzoquinone_dimAC_3B-69.xyz ├── 21c_p-benzoquinone_dimBC_3B-69.xyz ├── 21c_p-benzoquinone_monA_3B-69.xyz ├── 21c_p-benzoquinone_monB_3B-69.xyz ├── 21c_p-benzoquinone_monC_3B-69.xyz ├── 21c_p-benzoquinone_trim_3B-69.xyz ├── 21prod_DIE60.xyz ├── 21react_DIE60.xyz ├── 220_BzMe-4p4_dim_NBC10.xyz ├── 221_BzMe-4p6_dim_NBC10.xyz ├── 222_BzMe-4p8_dim_NBC10.xyz ├── 223_BzMe-5p0_dim_NBC10.xyz ├── 224_BzMe-5p2_dim_NBC10.xyz ├── 225_BzMe-5p4_dim_NBC10.xyz ├── 226_BzMe-5p6_dim_NBC10.xyz ├── 227_BzMe-6p0_dim_NBC10.xyz ├── 228_MeMe-3p2_dim_NBC10.xyz ├── 228_MeMe-3p2_monA_NBC10.xyz ├── 228_MeMe-3p2_monB_NBC10.xyz ├── 229_MeMe-3p3_dim_NBC10.xyz ├── 22_C4H10_Platonic24.xyz ├── 22_C4H2_H2O_OH2__pi_dim_HW30.xyz ├── 22_C4H2_H2O_OH2__pi_monA_HW30.xyz ├── 22_C4H2_H2O_OH2__pi_monB_HW30.xyz ├── 22_GX-_Pentane14.xyz ├── 22_H3N_SeF2_dim_Bauza30.xyz ├── 22_H3N_SeF2_monA_Bauza30.xyz ├── 22_H3N_SeF2_monB_Bauza30.xyz ├── 22_HCCH2O_HB49.xyz ├── 22_HNC-B_dim_CT20.xyz ├── 22_HNC-B_monA_CT20.xyz ├── 22_HNC-B_monB_CT20.xyz ├── 22_HOH-CH3_TA13.xyz ├── 22_Isomer12_Styrene45.xyz ├── 22_Me2NHrad+_HNBrBDE18.xyz ├── 22_Mg_AE18.xyz ├── 22_N2-N2_D2h_dim_NC15.xyz ├── 22_N2-N2_D2h_monA_NC15.xyz ├── 22_N2-N2_D2h_monB_NC15.xyz ├── 22_Product6_EIE22.xyz ├── 22_Rxn3_TS_1cat_WCPT27.xyz ├── 22_ch3_lower_BH76.xyz ├── 22_h2s_ch4_dim_DS14.xyz ├── 22_h2s_ch4_monA_DS14.xyz ├── 22_h2s_ch4_monB_DS14.xyz ├── 22_ile48-big_dim_HSG.xyz ├── 22_ile48-big_monA_HSG.xyz ├── 22_ile48-big_monB_HSG.xyz ├── 22_isoheptane_Alk44.xyz ├── 22a_uracil_dimAB_3B-69.xyz ├── 22a_uracil_dimAC_3B-69.xyz ├── 22a_uracil_dimBC_3B-69.xyz ├── 22a_uracil_monA_3B-69.xyz ├── 22a_uracil_monB_3B-69.xyz ├── 22a_uracil_monC_3B-69.xyz ├── 22a_uracil_trim_3B-69.xyz ├── 22b_uracil_dimAB_3B-69.xyz ├── 22b_uracil_dimAC_3B-69.xyz ├── 22b_uracil_dimBC_3B-69.xyz ├── 22b_uracil_monA_3B-69.xyz ├── 22b_uracil_monB_3B-69.xyz ├── 22b_uracil_monC_3B-69.xyz ├── 22b_uracil_trim_3B-69.xyz ├── 22c_uracil_dimAB_3B-69.xyz ├── 22c_uracil_dimAC_3B-69.xyz ├── 22c_uracil_dimBC_3B-69.xyz ├── 22c_uracil_monA_3B-69.xyz ├── 22c_uracil_monB_3B-69.xyz ├── 22c_uracil_monC_3B-69.xyz ├── 22c_uracil_trim_3B-69.xyz ├── 22prod_DIE60.xyz ├── 22react_DIE60.xyz ├── 230_MeMe-3p4_dim_NBC10.xyz ├── 231_MeMe-3p5_dim_NBC10.xyz ├── 232_MeMe-3p6_dim_NBC10.xyz ├── 233_MeMe-3p7_dim_NBC10.xyz ├── 234_MeMe-3p8_dim_NBC10.xyz ├── 235_MeMe-3p9_dim_NBC10.xyz ├── 236_MeMe-4p0_dim_NBC10.xyz ├── 237_MeMe-4p1_dim_NBC10.xyz ├── 238_MeMe-4p2_dim_NBC10.xyz ├── 239_MeMe-4p3_dim_NBC10.xyz ├── 23_Al_AE18.xyz ├── 23_C2H4_H2O_OH__pi_dim_HW30.xyz ├── 23_C2H4_H2O_OH__pi_monA_HW30.xyz ├── 23_C2H4_H2O_OH__pi_monB_HW30.xyz ├── 23_Cl-_S_CF2_dim_Bauza30.xyz ├── 23_Cl-_S_CF2_monA_Bauza30.xyz ├── 23_Cl-_S_CF2_monB_Bauza30.xyz ├── 23_F3CNHBr_HNBrBDE18.xyz ├── 23_FBr_XB18.xyz ├── 23_H2O-Cl_TA13.xyz ├── 23_HCC_HB49.xyz ├── 23_HNC-C_dim_CT20.xyz ├── 23_HNC-C_monA_CT20.xyz ├── 23_HNC-C_monB_CT20.xyz ├── 23_Isomer13_Styrene45.xyz ├── 23_N2-N2_dim_NC15.xyz ├── 23_N2-N2_monA_NC15.xyz ├── 23_N2-N2_monB_NC15.xyz ├── 23_NH3_PhBr_XB51.xyz ├── 23_Reactant7_EIE22.xyz ├── 23_Rxn4_TS_1cat_WCPT27.xyz ├── 23_TG_Pentane14.xyz ├── 23_ch3oh_lower_BH76.xyz ├── 23_h2s_dimer_cs_dim_DS14.xyz ├── 23_h2s_dimer_cs_monA_DS14.xyz ├── 23_h2s_dimer_cs_monB_DS14.xyz ├── 23_ile147_dim_HSG.xyz ├── 23_ile147_monA_HSG.xyz ├── 23_ile147_monB_HSG.xyz ├── 23_isooctane_Alk44.xyz ├── 23a_cyclobutylfuran_dimAB_3B-69.xyz ├── 23a_cyclobutylfuran_dimAC_3B-69.xyz ├── 23a_cyclobutylfuran_dimBC_3B-69.xyz ├── 23a_cyclobutylfuran_monA_3B-69.xyz ├── 23a_cyclobutylfuran_monB_3B-69.xyz ├── 23a_cyclobutylfuran_monC_3B-69.xyz ├── 23a_cyclobutylfuran_trim_3B-69.xyz ├── 23b_cyclobutylfuran_dimAB_3B-69.xyz ├── 23b_cyclobutylfuran_dimAC_3B-69.xyz ├── 23b_cyclobutylfuran_dimBC_3B-69.xyz ├── 23b_cyclobutylfuran_monA_3B-69.xyz ├── 23b_cyclobutylfuran_monB_3B-69.xyz ├── 23b_cyclobutylfuran_monC_3B-69.xyz ├── 23b_cyclobutylfuran_trim_3B-69.xyz ├── 23c_cyclobutylfuran_dimAB_3B-69.xyz ├── 23c_cyclobutylfuran_dimAC_3B-69.xyz ├── 23c_cyclobutylfuran_dimBC_3B-69.xyz ├── 23c_cyclobutylfuran_monA_3B-69.xyz ├── 23c_cyclobutylfuran_monB_3B-69.xyz ├── 23c_cyclobutylfuran_monC_3B-69.xyz ├── 23c_cyclobutylfuran_trim_3B-69.xyz ├── 23prod_DIE60.xyz ├── 23react_DIE60.xyz ├── 240_MeMe-4p4_dim_NBC10.xyz ├── 241_MeMe-4p6_dim_NBC10.xyz ├── 242_MeMe-4p8_dim_NBC10.xyz ├── 243_MeMe-5p0_dim_NBC10.xyz ├── 244_MeMe-5p4_dim_NBC10.xyz ├── 245_MeMe-5p8_dim_NBC10.xyz ├── 246_PyPy_S2-3p1_dim_NBC10.xyz ├── 246_PyPy_S2-3p1_monA_NBC10.xyz ├── 246_PyPy_S2-3p1_monB_NBC10.xyz ├── 247_PyPy_S2-3p3_dim_NBC10.xyz ├── 248_PyPy_S2-3p4_dim_NBC10.xyz ├── 249_PyPy_S2-3p5_dim_NBC10.xyz ├── 24_Br-_S_CF2_dim_Bauza30.xyz ├── 24_Br-_S_CF2_monA_Bauza30.xyz ├── 24_Br-_S_CF2_monB_Bauza30.xyz ├── 24_C2H4_H2O_CH2__O_dim_HW30.xyz ├── 24_C2H4_H2O_CH2__O_monA_HW30.xyz ├── 24_C2H4_H2O_CH2__O_monB_HW30.xyz ├── 24_CH3_upper_BH76.xyz ├── 24_F3CNHrad_HNBrBDE18.xyz ├── 24_FBrNCH_XB18.xyz ├── 24_H2O-F_TA13.xyz ├── 24_HCLHCL_HB49.xyz ├── 24_HNC-D_dim_CT20.xyz ├── 24_HNC-D_monA_CT20.xyz ├── 24_HNC-D_monB_CT20.xyz ├── 24_Isomer14_Styrene45.xyz ├── 24_Ne-HF_dim_NC15.xyz ├── 24_Ne-HF_monA_NC15.xyz ├── 24_Ne-HF_monB_NC15.xyz ├── 24_Product7_EIE22.xyz ├── 24_Rxn5_TS_1cat_WCPT27.xyz ├── 24_Si_AE18.xyz ├── 24_TT_Pentane14.xyz ├── 24_h2s_h2o_cs_dim_DS14.xyz ├── 24_h2s_h2o_cs_monA_DS14.xyz ├── 24_h2s_h2o_cs_monB_DS14.xyz ├── 24_ile150-big_dim_HSG.xyz ├── 24_ile150-big_monA_HSG.xyz ├── 24_ile150-big_monB_HSG.xyz ├── 24_neopentane_Alk44.xyz ├── 24prod_DIE60.xyz ├── 24react_DIE60.xyz ├── 250_PyPy_S2-3p6_dim_NBC10.xyz ├── 251_PyPy_S2-3p7_dim_NBC10.xyz ├── 252_PyPy_S2-3p8_dim_NBC10.xyz ├── 253_PyPy_S2-3p9_dim_NBC10.xyz ├── 254_PyPy_S2-4p0_dim_NBC10.xyz ├── 255_PyPy_S2-4p1_dim_NBC10.xyz ├── 256_PyPy_S2-4p2_dim_NBC10.xyz ├── 257_PyPy_S2-4p3_dim_NBC10.xyz ├── 258_PyPy_S2-4p4_dim_NBC10.xyz ├── 259_PyPy_S2-4p5_dim_NBC10.xyz ├── 25_C2H4_H2O_CH2__Opi_dim_HW30.xyz ├── 25_C2H4_H2O_CH2__Opi_monA_HW30.xyz ├── 25_C2H4_H2O_CH2__Opi_monB_HW30.xyz ├── 25_CH4_BH76.xyz ├── 25_Cl-_Se_CF2_dim_Bauza30.xyz ├── 25_Cl-_Se_CF2_monA_Bauza30.xyz ├── 25_Cl-_Se_CF2_monB_Bauza30.xyz ├── 25_FBrOCH2_XB18.xyz ├── 25_H2O-Li_TA13.xyz ├── 25_HCL_HB49.xyz ├── 25_HNC-E_dim_CT20.xyz ├── 25_HNC-E_monA_CT20.xyz ├── 25_HNC-E_monB_CT20.xyz ├── 25_Isomer15_Styrene45.xyz ├── 25_N-BrImidazole_HNBrBDE18.xyz ├── 25_P_AE18.xyz ├── 25_Reactant8_EIE22.xyz ├── 25_Rxn6_TS_1cat_WCPT27.xyz ├── 25_ile184_dim_HSG.xyz ├── 25_ile184_monA_HSG.xyz ├── 25_ile184_monB_HSG.xyz ├── 25_neohexane_Alk44.xyz ├── 25prod_DIE60.xyz ├── 25react_DIE60.xyz ├── 260_PyPy_S2-4p7_dim_NBC10.xyz ├── 261_PyPy_S2-5p0_dim_NBC10.xyz ├── 262_PyPy_S2-5p5_dim_NBC10.xyz ├── 263_PyPy_S2-6p0_dim_NBC10.xyz ├── 264_PyPy_S2-6p5_dim_NBC10.xyz ├── 265_PyPy_S2-7p0_dim_NBC10.xyz ├── 266_PyPy_T3-4p1_dim_NBC10.xyz ├── 266_PyPy_T3-4p1_monA_NBC10.xyz ├── 266_PyPy_T3-4p1_monB_NBC10.xyz ├── 267_PyPy_T3-4p3_dim_NBC10.xyz ├── 268_PyPy_T3-4p5_dim_NBC10.xyz ├── 2699_01WaterWater090_dim_S66x8.xyz ├── 269_PyPy_T3-4p6_dim_NBC10.xyz ├── 26_Br-_Se_CF2_dim_Bauza30.xyz ├── 26_Br-_Se_CF2_monA_Bauza30.xyz ├── 26_Br-_Se_CF2_monB_Bauza30.xyz ├── 26_C4H6_H2O_CH__O_dim_HW30.xyz ├── 26_C4H6_H2O_CH__O_monA_HW30.xyz ├── 26_C4H6_H2O_CH__O_monB_HW30.xyz ├── 26_H2O-HNH2+_TA13.xyz ├── 26_HCN-A_dim_CT20.xyz ├── 26_HCN-A_monA_CT20.xyz ├── 26_HCN-A_monB_CT20.xyz ├── 26_HCN_HB49.xyz ├── 26_ImidazoleNrad_HNBrBDE18.xyz ├── 26_Isomer16_Styrene45.xyz ├── 26_PCH_FBr_XB51.xyz ├── 26_Product8_EIE22.xyz ├── 26_Rxn7_TS_1cat_WCPT27.xyz ├── 26_S_AE18.xyz ├── 26_leu23-big_dim_HSG.xyz ├── 26_leu23-big_monA_HSG.xyz ├── 26_leu23-big_monB_HSG.xyz ├── 26_neoheptane_Alk44.xyz ├── 26prod_DIE60.xyz ├── 26react_DIE60.xyz ├── 2700_01WaterWater095_dim_S66x8.xyz ├── 2701_01WaterWater100_dim_S66x8.xyz ├── 2702_01WaterWater105_dim_S66x8.xyz ├── 2703_01WaterWater110_dim_S66x8.xyz ├── 2704_01WaterWater125_dim_S66x8.xyz ├── 2705_01WaterWater150_dim_S66x8.xyz ├── 2706_01WaterWater200_dim_S66x8.xyz ├── 2707_02WaterMeOH090_dim_S66x8.xyz ├── 2708_02WaterMeOH095_dim_S66x8.xyz ├── 2709_02WaterMeOH100_dim_S66x8.xyz ├── 270_PyPy_T3-4p7_dim_NBC10.xyz ├── 2710_02WaterMeOH105_dim_S66x8.xyz ├── 2711_02WaterMeOH110_dim_S66x8.xyz ├── 2712_02WaterMeOH125_dim_S66x8.xyz ├── 2713_02WaterMeOH150_dim_S66x8.xyz ├── 2714_02WaterMeOH200_dim_S66x8.xyz ├── 2715_03WaterMeNH2090_dim_S66x8.xyz ├── 2716_03WaterMeNH2095_dim_S66x8.xyz ├── 2717_03WaterMeNH2100_dim_S66x8.xyz ├── 2718_03WaterMeNH2105_dim_S66x8.xyz ├── 2719_03WaterMeNH2110_dim_S66x8.xyz ├── 271_PyPy_T3-4p8_dim_NBC10.xyz ├── 2720_03WaterMeNH2125_dim_S66x8.xyz ├── 2721_03WaterMeNH2150_dim_S66x8.xyz ├── 2722_03WaterMeNH2200_dim_S66x8.xyz ├── 2723_04WaterPeptide090_dim_S66x8.xyz ├── 2724_04WaterPeptide095_dim_S66x8.xyz ├── 2725_04WaterPeptide100_dim_S66x8.xyz ├── 2726_04WaterPeptide105_dim_S66x8.xyz ├── 2727_04WaterPeptide110_dim_S66x8.xyz ├── 2728_04WaterPeptide125_dim_S66x8.xyz ├── 2729_04WaterPeptide150_dim_S66x8.xyz ├── 272_PyPy_T3-4p9_dim_NBC10.xyz ├── 2730_04WaterPeptide200_dim_S66x8.xyz ├── 2731_05MeOHMeOH090_dim_S66x8.xyz ├── 2732_05MeOHMeOH095_dim_S66x8.xyz ├── 2733_05MeOHMeOH100_dim_S66x8.xyz ├── 2734_05MeOHMeOH105_dim_S66x8.xyz ├── 2735_05MeOHMeOH110_dim_S66x8.xyz ├── 2736_05MeOHMeOH125_dim_S66x8.xyz ├── 2737_05MeOHMeOH150_dim_S66x8.xyz ├── 2738_05MeOHMeOH200_dim_S66x8.xyz ├── 2739_06MeOHMeNH2090_dim_S66x8.xyz ├── 273_PyPy_T3-5p0_dim_NBC10.xyz ├── 2740_06MeOHMeNH2095_dim_S66x8.xyz ├── 2741_06MeOHMeNH2100_dim_S66x8.xyz ├── 2742_06MeOHMeNH2105_dim_S66x8.xyz ├── 2743_06MeOHMeNH2110_dim_S66x8.xyz ├── 2744_06MeOHMeNH2125_dim_S66x8.xyz ├── 2745_06MeOHMeNH2150_dim_S66x8.xyz ├── 2746_06MeOHMeNH2200_dim_S66x8.xyz ├── 2747_07MeOHPeptide090_dim_S66x8.xyz ├── 2748_07MeOHPeptide095_dim_S66x8.xyz ├── 2749_07MeOHPeptide100_dim_S66x8.xyz ├── 274_PyPy_T3-5p1_dim_NBC10.xyz ├── 2750_07MeOHPeptide105_dim_S66x8.xyz ├── 2751_07MeOHPeptide110_dim_S66x8.xyz ├── 2752_07MeOHPeptide125_dim_S66x8.xyz ├── 2753_07MeOHPeptide150_dim_S66x8.xyz ├── 2754_07MeOHPeptide200_dim_S66x8.xyz ├── 2755_08MeOHWater090_dim_S66x8.xyz ├── 2756_08MeOHWater095_dim_S66x8.xyz ├── 2757_08MeOHWater100_dim_S66x8.xyz ├── 2758_08MeOHWater105_dim_S66x8.xyz ├── 2759_08MeOHWater110_dim_S66x8.xyz ├── 275_PyPy_T3-5p2_dim_NBC10.xyz ├── 2760_08MeOHWater125_dim_S66x8.xyz ├── 2761_08MeOHWater150_dim_S66x8.xyz ├── 2762_08MeOHWater200_dim_S66x8.xyz ├── 2763_09MeNH2MeOH090_dim_S66x8.xyz ├── 2764_09MeNH2MeOH095_dim_S66x8.xyz ├── 2765_09MeNH2MeOH100_dim_S66x8.xyz ├── 2766_09MeNH2MeOH105_dim_S66x8.xyz ├── 2767_09MeNH2MeOH110_dim_S66x8.xyz ├── 2768_09MeNH2MeOH125_dim_S66x8.xyz ├── 2769_09MeNH2MeOH150_dim_S66x8.xyz ├── 276_PyPy_T3-5p3_dim_NBC10.xyz ├── 2770_09MeNH2MeOH200_dim_S66x8.xyz ├── 2771_10MeNH2MeNH2090_dim_S66x8.xyz ├── 2772_10MeNH2MeNH2095_dim_S66x8.xyz ├── 2773_10MeNH2MeNH2100_dim_S66x8.xyz ├── 2774_10MeNH2MeNH2105_dim_S66x8.xyz ├── 2775_10MeNH2MeNH2110_dim_S66x8.xyz ├── 2776_10MeNH2MeNH2125_dim_S66x8.xyz ├── 2777_10MeNH2MeNH2150_dim_S66x8.xyz ├── 2778_10MeNH2MeNH2200_dim_S66x8.xyz ├── 2779_11MeNH2Peptide090_dim_S66x8.xyz ├── 277_PyPy_T3-5p4_dim_NBC10.xyz ├── 2780_11MeNH2Peptide095_dim_S66x8.xyz ├── 2781_11MeNH2Peptide100_dim_S66x8.xyz ├── 2782_11MeNH2Peptide105_dim_S66x8.xyz ├── 2783_11MeNH2Peptide110_dim_S66x8.xyz ├── 2784_11MeNH2Peptide125_dim_S66x8.xyz ├── 2785_11MeNH2Peptide150_dim_S66x8.xyz ├── 2786_11MeNH2Peptide200_dim_S66x8.xyz ├── 2787_12MeNH2Water090_dim_S66x8.xyz ├── 2788_12MeNH2Water095_dim_S66x8.xyz ├── 2789_12MeNH2Water100_dim_S66x8.xyz ├── 278_PyPy_T3-5p5_dim_NBC10.xyz ├── 2790_12MeNH2Water105_dim_S66x8.xyz ├── 2791_12MeNH2Water110_dim_S66x8.xyz ├── 2792_12MeNH2Water125_dim_S66x8.xyz ├── 2793_12MeNH2Water150_dim_S66x8.xyz ├── 2794_12MeNH2Water200_dim_S66x8.xyz ├── 2795_13PeptideMeOH090_dim_S66x8.xyz ├── 2796_13PeptideMeOH095_dim_S66x8.xyz ├── 2797_13PeptideMeOH100_dim_S66x8.xyz ├── 2798_13PeptideMeOH105_dim_S66x8.xyz ├── 2799_13PeptideMeOH110_dim_S66x8.xyz ├── 279_PyPy_T3-5p7_dim_NBC10.xyz ├── 27_3methylpentane_Alk44.xyz ├── 27_C4H6_H2O_CH2__O_dim_HW30.xyz ├── 27_C4H6_H2O_CH2__O_monA_HW30.xyz ├── 27_C4H6_H2O_CH2__O_monB_HW30.xyz ├── 27_Cl_AE18.xyz ├── 27_H2O-NH3+_TA13.xyz ├── 27_H3N_S_CF2_dim_Bauza30.xyz ├── 27_H3N_S_CF2_monA_Bauza30.xyz ├── 27_H3N_S_CF2_monB_Bauza30.xyz ├── 27_HCN-B_dim_CT20.xyz ├── 27_HCN-B_monA_CT20.xyz ├── 27_HCN-B_monB_CT20.xyz ├── 27_HFHF_HB49.xyz ├── 27_Isomer17_Styrene45.xyz ├── 27_N-BrPyrrole_HNBrBDE18.xyz ├── 27_PCH_FCl_XB51.xyz ├── 27_Reactant9_EIE22.xyz ├── 27_Rxn8_TS_1cat_WCPT27.xyz ├── 27_clch3clcomp_BH76.xyz ├── 27_pro181_dim_HSG.xyz ├── 27_pro181_monA_HSG.xyz ├── 27_pro181_monB_HSG.xyz ├── 27prod_DIE60.xyz ├── 27react_DIE60.xyz ├── 2800_13PeptideMeOH125_dim_S66x8.xyz ├── 2801_13PeptideMeOH150_dim_S66x8.xyz ├── 2802_13PeptideMeOH200_dim_S66x8.xyz ├── 2803_14PeptideMeNH2090_dim_S66x8.xyz ├── 2804_14PeptideMeNH2095_dim_S66x8.xyz ├── 2805_14PeptideMeNH2100_dim_S66x8.xyz ├── 2806_14PeptideMeNH2105_dim_S66x8.xyz ├── 2807_14PeptideMeNH2110_dim_S66x8.xyz ├── 2808_14PeptideMeNH2125_dim_S66x8.xyz ├── 2809_14PeptideMeNH2150_dim_S66x8.xyz ├── 280_PyPy_T3-6p0_dim_NBC10.xyz ├── 2810_14PeptideMeNH2200_dim_S66x8.xyz ├── 2811_15PeptidePeptide090_dim_S66x8.xyz ├── 2812_15PeptidePeptide095_dim_S66x8.xyz ├── 2813_15PeptidePeptide100_dim_S66x8.xyz ├── 2814_15PeptidePeptide105_dim_S66x8.xyz ├── 2815_15PeptidePeptide110_dim_S66x8.xyz ├── 2816_15PeptidePeptide125_dim_S66x8.xyz ├── 2817_15PeptidePeptide150_dim_S66x8.xyz ├── 2818_15PeptidePeptide200_dim_S66x8.xyz ├── 2819_16PeptideWater090_dim_S66x8.xyz ├── 281_PyPy_T3-6p5_dim_NBC10.xyz ├── 2820_16PeptideWater095_dim_S66x8.xyz ├── 2821_16PeptideWater100_dim_S66x8.xyz ├── 2822_16PeptideWater105_dim_S66x8.xyz ├── 2823_16PeptideWater110_dim_S66x8.xyz ├── 2824_16PeptideWater125_dim_S66x8.xyz ├── 2825_16PeptideWater150_dim_S66x8.xyz ├── 2826_16PeptideWater200_dim_S66x8.xyz ├── 2827_17UracilUracilBP090_dim_S66x8.xyz ├── 2828_17UracilUracilBP095_dim_S66x8.xyz ├── 2829_17UracilUracilBP100_dim_S66x8.xyz ├── 282_PyPy_T3-7p0_dim_NBC10.xyz ├── 2830_17UracilUracilBP105_dim_S66x8.xyz ├── 2831_17UracilUracilBP110_dim_S66x8.xyz ├── 2832_17UracilUracilBP125_dim_S66x8.xyz ├── 2833_17UracilUracilBP150_dim_S66x8.xyz ├── 2834_17UracilUracilBP200_dim_S66x8.xyz ├── 2835_18WaterPyridine090_dim_S66x8.xyz ├── 2836_18WaterPyridine095_dim_S66x8.xyz ├── 2837_18WaterPyridine100_dim_S66x8.xyz ├── 2838_18WaterPyridine105_dim_S66x8.xyz ├── 2839_18WaterPyridine110_dim_S66x8.xyz ├── 283_PyPy_T3-8p0_dim_NBC10.xyz ├── 2840_18WaterPyridine125_dim_S66x8.xyz ├── 2841_18WaterPyridine150_dim_S66x8.xyz ├── 2842_18WaterPyridine200_dim_S66x8.xyz ├── 2843_19MeOHPyridine090_dim_S66x8.xyz ├── 2844_19MeOHPyridine095_dim_S66x8.xyz ├── 2845_19MeOHPyridine100_dim_S66x8.xyz ├── 2846_19MeOHPyridine105_dim_S66x8.xyz ├── 2847_19MeOHPyridine110_dim_S66x8.xyz ├── 2848_19MeOHPyridine125_dim_S66x8.xyz ├── 2849_19MeOHPyridine150_dim_S66x8.xyz ├── 284_PyPy_T3-9p0_dim_NBC10.xyz ├── 2850_19MeOHPyridine200_dim_S66x8.xyz ├── 2851_20AcOHAcOH090_dim_S66x8.xyz ├── 2852_20AcOHAcOH095_dim_S66x8.xyz ├── 2853_20AcOHAcOH100_dim_S66x8.xyz ├── 2854_20AcOHAcOH105_dim_S66x8.xyz ├── 2855_20AcOHAcOH110_dim_S66x8.xyz ├── 2856_20AcOHAcOH125_dim_S66x8.xyz ├── 2857_20AcOHAcOH150_dim_S66x8.xyz ├── 2858_20AcOHAcOH200_dim_S66x8.xyz ├── 2859_21AcNH2AcNH2090_dim_S66x8.xyz ├── 2860_21AcNH2AcNH2095_dim_S66x8.xyz ├── 2861_21AcNH2AcNH2100_dim_S66x8.xyz ├── 2862_21AcNH2AcNH2105_dim_S66x8.xyz ├── 2863_21AcNH2AcNH2110_dim_S66x8.xyz ├── 2864_21AcNH2AcNH2125_dim_S66x8.xyz ├── 2865_21AcNH2AcNH2150_dim_S66x8.xyz ├── 2866_21AcNH2AcNH2200_dim_S66x8.xyz ├── 2867_22AcOHUracil090_dim_S66x8.xyz ├── 2868_22AcOHUracil095_dim_S66x8.xyz ├── 2869_22AcOHUracil100_dim_S66x8.xyz ├── 2870_22AcOHUracil105_dim_S66x8.xyz ├── 2871_22AcOHUracil110_dim_S66x8.xyz ├── 2872_22AcOHUracil125_dim_S66x8.xyz ├── 2873_22AcOHUracil150_dim_S66x8.xyz ├── 2874_22AcOHUracil200_dim_S66x8.xyz ├── 2875_23AcNH2Uracil090_dim_S66x8.xyz ├── 2876_23AcNH2Uracil095_dim_S66x8.xyz ├── 2877_23AcNH2Uracil100_dim_S66x8.xyz ├── 2878_23AcNH2Uracil105_dim_S66x8.xyz ├── 2879_23AcNH2Uracil110_dim_S66x8.xyz ├── 2880_23AcNH2Uracil125_dim_S66x8.xyz ├── 2881_23AcNH2Uracil150_dim_S66x8.xyz ├── 2882_23AcNH2Uracil200_dim_S66x8.xyz ├── 2883_24BenzeneBenzenepipi090_dim_S66x8.xyz ├── 2884_24BenzeneBenzenepipi095_dim_S66x8.xyz ├── 2885_24BenzeneBenzenepipi100_dim_S66x8.xyz ├── 2886_24BenzeneBenzenepipi105_dim_S66x8.xyz ├── 2887_24BenzeneBenzenepipi110_dim_S66x8.xyz ├── 2888_24BenzeneBenzenepipi125_dim_S66x8.xyz ├── 2889_24BenzeneBenzenepipi150_dim_S66x8.xyz ├── 2890_24BenzeneBenzenepipi200_dim_S66x8.xyz ├── 2891_25PyridinePyridinepipi090_dim_S66x8.xyz ├── 2892_25PyridinePyridinepipi095_dim_S66x8.xyz ├── 2893_25PyridinePyridinepipi100_dim_S66x8.xyz ├── 2894_25PyridinePyridinepipi105_dim_S66x8.xyz ├── 2895_25PyridinePyridinepipi110_dim_S66x8.xyz ├── 2896_25PyridinePyridinepipi125_dim_S66x8.xyz ├── 2897_25PyridinePyridinepipi150_dim_S66x8.xyz ├── 2898_25PyridinePyridinepipi200_dim_S66x8.xyz ├── 2899_26UracilUracilpipi090_dim_S66x8.xyz ├── 28_Ar_AE18.xyz ├── 28_C4H6_H2O_OH__pi_dim_HW30.xyz ├── 28_C4H6_H2O_OH__pi_monA_HW30.xyz ├── 28_C4H6_H2O_OH__pi_monB_HW30.xyz ├── 28_FH-BH2_TA13.xyz ├── 28_H3N_Se_CF2_dim_Bauza30.xyz ├── 28_H3N_Se_CF2_monA_Bauza30.xyz ├── 28_H3N_Se_CF2_monB_Bauza30.xyz ├── 28_HCN-C_dim_CT20.xyz ├── 28_HCN-C_monA_CT20.xyz ├── 28_HCN-C_monB_CT20.xyz ├── 28_HFH2O_HB49.xyz ├── 28_Isomer18_Styrene45.xyz ├── 28_PCH_NBS_XB51.xyz ├── 28_Product9_EIE22.xyz ├── 28_PyrroleNrad_HNBrBDE18.xyz ├── 28_Rxn9_TS_1cat_WCPT27.xyz ├── 28_clch3clts_BH76.xyz ├── 28_diisopropyl_Alk44.xyz ├── 28_val33-big_dim_HSG.xyz ├── 28_val33-big_monA_HSG.xyz ├── 28_val33-big_monB_HSG.xyz ├── 28prod_DIE60.xyz ├── 28react_DIE60.xyz ├── 2900_26UracilUracilpipi095_dim_S66x8.xyz ├── 2901_26UracilUracilpipi100_dim_S66x8.xyz ├── 2902_26UracilUracilpipi105_dim_S66x8.xyz ├── 2903_26UracilUracilpipi110_dim_S66x8.xyz ├── 2904_26UracilUracilpipi125_dim_S66x8.xyz ├── 2905_26UracilUracilpipi150_dim_S66x8.xyz ├── 2906_26UracilUracilpipi200_dim_S66x8.xyz ├── 2907_27BenzenePyridinepipi090_dim_S66x8.xyz ├── 2908_27BenzenePyridinepipi095_dim_S66x8.xyz ├── 2909_27BenzenePyridinepipi100_dim_S66x8.xyz ├── 2910_27BenzenePyridinepipi105_dim_S66x8.xyz ├── 2911_27BenzenePyridinepipi110_dim_S66x8.xyz ├── 2912_27BenzenePyridinepipi125_dim_S66x8.xyz ├── 2913_27BenzenePyridinepipi150_dim_S66x8.xyz ├── 2914_27BenzenePyridinepipi200_dim_S66x8.xyz ├── 2915_28BenzeneUracilpipi090_dim_S66x8.xyz ├── 2916_28BenzeneUracilpipi095_dim_S66x8.xyz ├── 2917_28BenzeneUracilpipi100_dim_S66x8.xyz ├── 2918_28BenzeneUracilpipi105_dim_S66x8.xyz ├── 2919_28BenzeneUracilpipi110_dim_S66x8.xyz ├── 2920_28BenzeneUracilpipi125_dim_S66x8.xyz ├── 2921_28BenzeneUracilpipi150_dim_S66x8.xyz ├── 2922_28BenzeneUracilpipi200_dim_S66x8.xyz ├── 2923_29PyridineUracilpipi090_dim_S66x8.xyz ├── 2924_29PyridineUracilpipi095_dim_S66x8.xyz ├── 2925_29PyridineUracilpipi100_dim_S66x8.xyz ├── 2926_29PyridineUracilpipi105_dim_S66x8.xyz ├── 2927_29PyridineUracilpipi110_dim_S66x8.xyz ├── 2928_29PyridineUracilpipi125_dim_S66x8.xyz ├── 2929_29PyridineUracilpipi150_dim_S66x8.xyz ├── 2930_29PyridineUracilpipi200_dim_S66x8.xyz ├── 2931_30BenzeneEthene090_dim_S66x8.xyz ├── 2932_30BenzeneEthene095_dim_S66x8.xyz ├── 2933_30BenzeneEthene100_dim_S66x8.xyz ├── 2934_30BenzeneEthene105_dim_S66x8.xyz ├── 2935_30BenzeneEthene110_dim_S66x8.xyz ├── 2936_30BenzeneEthene125_dim_S66x8.xyz ├── 2937_30BenzeneEthene150_dim_S66x8.xyz ├── 2938_30BenzeneEthene200_dim_S66x8.xyz ├── 2939_31UracilEthene090_dim_S66x8.xyz ├── 2940_31UracilEthene095_dim_S66x8.xyz ├── 2941_31UracilEthene100_dim_S66x8.xyz ├── 2942_31UracilEthene105_dim_S66x8.xyz ├── 2943_31UracilEthene110_dim_S66x8.xyz ├── 2944_31UracilEthene125_dim_S66x8.xyz ├── 2945_31UracilEthene150_dim_S66x8.xyz ├── 2946_31UracilEthene200_dim_S66x8.xyz ├── 2947_32UracilEthyne090_dim_S66x8.xyz ├── 2948_32UracilEthyne095_dim_S66x8.xyz ├── 2949_32UracilEthyne100_dim_S66x8.xyz ├── 2950_32UracilEthyne105_dim_S66x8.xyz ├── 2951_32UracilEthyne110_dim_S66x8.xyz ├── 2952_32UracilEthyne125_dim_S66x8.xyz ├── 2953_32UracilEthyne150_dim_S66x8.xyz ├── 2954_32UracilEthyne200_dim_S66x8.xyz ├── 2955_33PyridineEthene090_dim_S66x8.xyz ├── 2956_33PyridineEthene095_dim_S66x8.xyz ├── 2957_33PyridineEthene100_dim_S66x8.xyz ├── 2958_33PyridineEthene105_dim_S66x8.xyz ├── 2959_33PyridineEthene110_dim_S66x8.xyz ├── 2960_33PyridineEthene125_dim_S66x8.xyz ├── 2961_33PyridineEthene150_dim_S66x8.xyz ├── 2962_33PyridineEthene200_dim_S66x8.xyz ├── 2963_34PentanePentane090_dim_S66x8.xyz ├── 2964_34PentanePentane095_dim_S66x8.xyz ├── 2965_34PentanePentane100_dim_S66x8.xyz ├── 2966_34PentanePentane105_dim_S66x8.xyz ├── 2967_34PentanePentane110_dim_S66x8.xyz ├── 2968_34PentanePentane125_dim_S66x8.xyz ├── 2969_34PentanePentane150_dim_S66x8.xyz ├── 2970_34PentanePentane200_dim_S66x8.xyz ├── 2971_35NeopentanePentane090_dim_S66x8.xyz ├── 2972_35NeopentanePentane095_dim_S66x8.xyz ├── 2973_35NeopentanePentane100_dim_S66x8.xyz ├── 2974_35NeopentanePentane105_dim_S66x8.xyz ├── 2975_35NeopentanePentane110_dim_S66x8.xyz ├── 2976_35NeopentanePentane125_dim_S66x8.xyz ├── 2977_35NeopentanePentane150_dim_S66x8.xyz ├── 2978_35NeopentanePentane200_dim_S66x8.xyz ├── 2979_36NeopentaneNeopentane090_dim_S66x8.xyz ├── 2980_36NeopentaneNeopentane095_dim_S66x8.xyz ├── 2981_36NeopentaneNeopentane100_dim_S66x8.xyz ├── 2982_36NeopentaneNeopentane105_dim_S66x8.xyz ├── 2983_36NeopentaneNeopentane110_dim_S66x8.xyz ├── 2984_36NeopentaneNeopentane125_dim_S66x8.xyz ├── 2985_36NeopentaneNeopentane150_dim_S66x8.xyz ├── 2986_36NeopentaneNeopentane200_dim_S66x8.xyz ├── 2987_37CyclopentaneNeopentane090_dim_S66x8.xyz ├── 2988_37CyclopentaneNeopentane095_dim_S66x8.xyz ├── 2989_37CyclopentaneNeopentane100_dim_S66x8.xyz ├── 2990_37CyclopentaneNeopentane105_dim_S66x8.xyz ├── 2991_37CyclopentaneNeopentane110_dim_S66x8.xyz ├── 2992_37CyclopentaneNeopentane125_dim_S66x8.xyz ├── 2993_37CyclopentaneNeopentane150_dim_S66x8.xyz ├── 2994_37CyclopentaneNeopentane200_dim_S66x8.xyz ├── 2995_38CyclopentaneCyclopentane090_dim_S66x8.xyz ├── 2996_38CyclopentaneCyclopentane095_dim_S66x8.xyz ├── 2997_38CyclopentaneCyclopentane100_dim_S66x8.xyz ├── 2998_38CyclopentaneCyclopentane105_dim_S66x8.xyz ├── 2999_38CyclopentaneCyclopentane110_dim_S66x8.xyz ├── 29_C4H4_H2O_CH__Op_dim_HW30.xyz ├── 29_C4H4_H2O_CH__Op_monA_HW30.xyz ├── 29_C4H4_H2O_CH__Op_monB_HW30.xyz ├── 29_Cl-_S_PF3_dim_Bauza30.xyz ├── 29_Cl-_S_PF3_monA_Bauza30.xyz ├── 29_Cl-_S_PF3_monB_Bauza30.xyz ├── 29_H2CO_XB18.xyz ├── 29_HCN-D_dim_CT20.xyz ├── 29_HCN-D_monA_CT20.xyz ├── 29_HCN-D_monB_CT20.xyz ├── 29_HCONHBr_HNBrBDE18.xyz ├── 29_HF-CO+_TA13.xyz ├── 29_HFHCN_HB49.xyz ├── 29_Isomer19_Styrene45.xyz ├── 29_Reactant10_EIE22.xyz ├── 29_Rxn1_TS_2cat_WCPT27.xyz ├── 29_clf_BH76.xyz ├── 29_hexamethylethane_Alk44.xyz ├── 29_val83_dim_HSG.xyz ├── 29_val83_monA_HSG.xyz ├── 29_val83_monB_HSG.xyz ├── 29prod_DIE60.xyz ├── 29react_DIE60.xyz ├── 2prod1_CR20.xyz ├── 2prod2_CR20.xyz ├── 2prod_DIE60.xyz ├── 2react_CR20.xyz ├── 2react_DIE60.xyz ├── 3000_38CyclopentaneCyclopentane125_dim_S66x8.xyz ├── 3001_38CyclopentaneCyclopentane150_dim_S66x8.xyz ├── 3002_38CyclopentaneCyclopentane200_dim_S66x8.xyz ├── 3003_39BenzeneCyclopentane090_dim_S66x8.xyz ├── 3004_39BenzeneCyclopentane095_dim_S66x8.xyz ├── 3005_39BenzeneCyclopentane100_dim_S66x8.xyz ├── 3006_39BenzeneCyclopentane105_dim_S66x8.xyz ├── 3007_39BenzeneCyclopentane110_dim_S66x8.xyz ├── 3008_39BenzeneCyclopentane125_dim_S66x8.xyz ├── 3009_39BenzeneCyclopentane150_dim_S66x8.xyz ├── 3010_39BenzeneCyclopentane200_dim_S66x8.xyz ├── 3011_40BenzeneNeopentane090_dim_S66x8.xyz ├── 3012_40BenzeneNeopentane095_dim_S66x8.xyz ├── 3013_40BenzeneNeopentane100_dim_S66x8.xyz ├── 3014_40BenzeneNeopentane105_dim_S66x8.xyz ├── 3015_40BenzeneNeopentane110_dim_S66x8.xyz ├── 3016_40BenzeneNeopentane125_dim_S66x8.xyz ├── 3017_40BenzeneNeopentane150_dim_S66x8.xyz ├── 3018_40BenzeneNeopentane200_dim_S66x8.xyz ├── 3019_41UracilPentane090_dim_S66x8.xyz ├── 3020_41UracilPentane095_dim_S66x8.xyz ├── 3021_41UracilPentane100_dim_S66x8.xyz ├── 3022_41UracilPentane105_dim_S66x8.xyz ├── 3023_41UracilPentane110_dim_S66x8.xyz ├── 3024_41UracilPentane125_dim_S66x8.xyz ├── 3025_41UracilPentane150_dim_S66x8.xyz ├── 3026_41UracilPentane200_dim_S66x8.xyz ├── 3027_42UracilCyclopentane090_dim_S66x8.xyz ├── 3028_42UracilCyclopentane095_dim_S66x8.xyz ├── 3029_42UracilCyclopentane100_dim_S66x8.xyz ├── 3030_42UracilCyclopentane105_dim_S66x8.xyz ├── 3031_42UracilCyclopentane110_dim_S66x8.xyz ├── 3032_42UracilCyclopentane125_dim_S66x8.xyz ├── 3033_42UracilCyclopentane150_dim_S66x8.xyz ├── 3034_42UracilCyclopentane200_dim_S66x8.xyz ├── 3035_43UracilNeopentane090_dim_S66x8.xyz ├── 3036_43UracilNeopentane095_dim_S66x8.xyz ├── 3037_43UracilNeopentane100_dim_S66x8.xyz ├── 3038_43UracilNeopentane105_dim_S66x8.xyz ├── 3039_43UracilNeopentane110_dim_S66x8.xyz ├── 3040_43UracilNeopentane125_dim_S66x8.xyz ├── 3041_43UracilNeopentane150_dim_S66x8.xyz ├── 3042_43UracilNeopentane200_dim_S66x8.xyz ├── 3043_44EthenePentane090_dim_S66x8.xyz ├── 3044_44EthenePentane095_dim_S66x8.xyz ├── 3045_44EthenePentane100_dim_S66x8.xyz ├── 3046_44EthenePentane105_dim_S66x8.xyz ├── 3047_44EthenePentane110_dim_S66x8.xyz ├── 3048_44EthenePentane125_dim_S66x8.xyz ├── 3049_44EthenePentane150_dim_S66x8.xyz ├── 3050_44EthenePentane200_dim_S66x8.xyz ├── 3051_45EthynePentane090_dim_S66x8.xyz ├── 3052_45EthynePentane095_dim_S66x8.xyz ├── 3053_45EthynePentane100_dim_S66x8.xyz ├── 3054_45EthynePentane105_dim_S66x8.xyz ├── 3055_45EthynePentane110_dim_S66x8.xyz ├── 3056_45EthynePentane125_dim_S66x8.xyz ├── 3057_45EthynePentane150_dim_S66x8.xyz ├── 3058_45EthynePentane200_dim_S66x8.xyz ├── 3059_46PeptidePentane090_dim_S66x8.xyz ├── 3060_46PeptidePentane095_dim_S66x8.xyz ├── 3061_46PeptidePentane100_dim_S66x8.xyz ├── 3062_46PeptidePentane105_dim_S66x8.xyz ├── 3063_46PeptidePentane110_dim_S66x8.xyz ├── 3064_46PeptidePentane125_dim_S66x8.xyz ├── 3065_46PeptidePentane150_dim_S66x8.xyz ├── 3066_46PeptidePentane200_dim_S66x8.xyz ├── 3067_47BenzeneBenzeneTS090_dim_S66x8.xyz ├── 3068_47BenzeneBenzeneTS095_dim_S66x8.xyz ├── 3069_47BenzeneBenzeneTS100_dim_S66x8.xyz ├── 3070_47BenzeneBenzeneTS105_dim_S66x8.xyz ├── 3071_47BenzeneBenzeneTS110_dim_S66x8.xyz ├── 3072_47BenzeneBenzeneTS125_dim_S66x8.xyz ├── 3073_47BenzeneBenzeneTS150_dim_S66x8.xyz ├── 3074_47BenzeneBenzeneTS200_dim_S66x8.xyz ├── 3075_48PyridinePyridineTS090_dim_S66x8.xyz ├── 3076_48PyridinePyridineTS095_dim_S66x8.xyz ├── 3077_48PyridinePyridineTS100_dim_S66x8.xyz ├── 3078_48PyridinePyridineTS105_dim_S66x8.xyz ├── 3079_48PyridinePyridineTS110_dim_S66x8.xyz ├── 3080_48PyridinePyridineTS125_dim_S66x8.xyz ├── 3081_48PyridinePyridineTS150_dim_S66x8.xyz ├── 3082_48PyridinePyridineTS200_dim_S66x8.xyz ├── 3083_49BenzenePyridineTS090_dim_S66x8.xyz ├── 3084_49BenzenePyridineTS095_dim_S66x8.xyz ├── 3085_49BenzenePyridineTS100_dim_S66x8.xyz ├── 3086_49BenzenePyridineTS105_dim_S66x8.xyz ├── 3087_49BenzenePyridineTS110_dim_S66x8.xyz ├── 3088_49BenzenePyridineTS125_dim_S66x8.xyz ├── 3089_49BenzenePyridineTS150_dim_S66x8.xyz ├── 3090_49BenzenePyridineTS200_dim_S66x8.xyz ├── 3091_50BenzeneEthyneCHpi090_dim_S66x8.xyz ├── 3092_50BenzeneEthyneCHpi095_dim_S66x8.xyz ├── 3093_50BenzeneEthyneCHpi100_dim_S66x8.xyz ├── 3094_50BenzeneEthyneCHpi105_dim_S66x8.xyz ├── 3095_50BenzeneEthyneCHpi110_dim_S66x8.xyz ├── 3096_50BenzeneEthyneCHpi125_dim_S66x8.xyz ├── 3097_50BenzeneEthyneCHpi150_dim_S66x8.xyz ├── 3098_50BenzeneEthyneCHpi200_dim_S66x8.xyz ├── 3099_51EthyneEthyneTS090_dim_S66x8.xyz ├── 30_Br-_S_PF3_dim_Bauza30.xyz ├── 30_Br-_S_PF3_monA_Bauza30.xyz ├── 30_Br-_S_PF3_monB_Bauza30.xyz ├── 30_C4H4_H2O_CH__O_dim_HW30.xyz ├── 30_C4H4_H2O_CH__O_monA_HW30.xyz ├── 30_C4H4_H2O_CH__O_monB_HW30.xyz ├── 30_FH-NH2_TA13.xyz ├── 30_HBr_XB18.xyz ├── 30_HCN-E_dim_CT20.xyz ├── 30_HCN-E_monA_CT20.xyz ├── 30_HCN-E_monB_CT20.xyz ├── 30_HCONHrad_HNBrBDE18.xyz ├── 30_HF_HB49.xyz ├── 30_Isomer20_Styrene45.xyz ├── 30_PCH_PhBr_XB51.xyz ├── 30_Product10_EIE22.xyz ├── 30_Rxn2_TS_2cat_WCPT27.xyz ├── 30_cl_lower_BH76.xyz ├── 30_val132_dim_HSG.xyz ├── 30_val132_monA_HSG.xyz ├── 30_val132_monB_HSG.xyz ├── 30prod_DIE60.xyz ├── 30react_DIE60.xyz ├── 3100_51EthyneEthyneTS095_dim_S66x8.xyz ├── 3101_51EthyneEthyneTS100_dim_S66x8.xyz ├── 3102_51EthyneEthyneTS105_dim_S66x8.xyz ├── 3103_51EthyneEthyneTS110_dim_S66x8.xyz ├── 3104_51EthyneEthyneTS125_dim_S66x8.xyz ├── 3105_51EthyneEthyneTS150_dim_S66x8.xyz ├── 3106_51EthyneEthyneTS200_dim_S66x8.xyz ├── 3107_52BenzeneAcOHOHpi090_dim_S66x8.xyz ├── 3108_52BenzeneAcOHOHpi095_dim_S66x8.xyz ├── 3109_52BenzeneAcOHOHpi100_dim_S66x8.xyz ├── 3110_52BenzeneAcOHOHpi105_dim_S66x8.xyz ├── 3111_52BenzeneAcOHOHpi110_dim_S66x8.xyz ├── 3112_52BenzeneAcOHOHpi125_dim_S66x8.xyz ├── 3113_52BenzeneAcOHOHpi150_dim_S66x8.xyz ├── 3114_52BenzeneAcOHOHpi200_dim_S66x8.xyz ├── 3115_53BenzeneAcNH2NHpi090_dim_S66x8.xyz ├── 3116_53BenzeneAcNH2NHpi095_dim_S66x8.xyz ├── 3117_53BenzeneAcNH2NHpi100_dim_S66x8.xyz ├── 3118_53BenzeneAcNH2NHpi105_dim_S66x8.xyz ├── 3119_53BenzeneAcNH2NHpi110_dim_S66x8.xyz ├── 3120_53BenzeneAcNH2NHpi125_dim_S66x8.xyz ├── 3121_53BenzeneAcNH2NHpi150_dim_S66x8.xyz ├── 3122_53BenzeneAcNH2NHpi200_dim_S66x8.xyz ├── 3123_54BenzeneWaterOHpi090_dim_S66x8.xyz ├── 3124_54BenzeneWaterOHpi095_dim_S66x8.xyz ├── 3125_54BenzeneWaterOHpi100_dim_S66x8.xyz ├── 3126_54BenzeneWaterOHpi105_dim_S66x8.xyz ├── 3127_54BenzeneWaterOHpi110_dim_S66x8.xyz ├── 3128_54BenzeneWaterOHpi125_dim_S66x8.xyz ├── 3129_54BenzeneWaterOHpi150_dim_S66x8.xyz ├── 3130_54BenzeneWaterOHpi200_dim_S66x8.xyz ├── 3131_55BenzeneMeOHOHpi090_dim_S66x8.xyz ├── 3132_55BenzeneMeOHOHpi095_dim_S66x8.xyz ├── 3133_55BenzeneMeOHOHpi100_dim_S66x8.xyz ├── 3134_55BenzeneMeOHOHpi105_dim_S66x8.xyz ├── 3135_55BenzeneMeOHOHpi110_dim_S66x8.xyz ├── 3136_55BenzeneMeOHOHpi125_dim_S66x8.xyz ├── 3137_55BenzeneMeOHOHpi150_dim_S66x8.xyz ├── 3138_55BenzeneMeOHOHpi200_dim_S66x8.xyz ├── 3139_56BenzeneMeNH2NHpi090_dim_S66x8.xyz ├── 3140_56BenzeneMeNH2NHpi095_dim_S66x8.xyz ├── 3141_56BenzeneMeNH2NHpi100_dim_S66x8.xyz ├── 3142_56BenzeneMeNH2NHpi105_dim_S66x8.xyz ├── 3143_56BenzeneMeNH2NHpi110_dim_S66x8.xyz ├── 3144_56BenzeneMeNH2NHpi125_dim_S66x8.xyz ├── 3145_56BenzeneMeNH2NHpi150_dim_S66x8.xyz ├── 3146_56BenzeneMeNH2NHpi200_dim_S66x8.xyz ├── 3147_57BenzenePeptideNHpi090_dim_S66x8.xyz ├── 3148_57BenzenePeptideNHpi095_dim_S66x8.xyz ├── 3149_57BenzenePeptideNHpi100_dim_S66x8.xyz ├── 3150_57BenzenePeptideNHpi105_dim_S66x8.xyz ├── 3151_57BenzenePeptideNHpi110_dim_S66x8.xyz ├── 3152_57BenzenePeptideNHpi125_dim_S66x8.xyz ├── 3153_57BenzenePeptideNHpi150_dim_S66x8.xyz ├── 3154_57BenzenePeptideNHpi200_dim_S66x8.xyz ├── 3155_58PyridinePyridineCHN090_dim_S66x8.xyz ├── 3156_58PyridinePyridineCHN095_dim_S66x8.xyz ├── 3157_58PyridinePyridineCHN100_dim_S66x8.xyz ├── 3158_58PyridinePyridineCHN105_dim_S66x8.xyz ├── 3159_58PyridinePyridineCHN110_dim_S66x8.xyz ├── 3160_58PyridinePyridineCHN125_dim_S66x8.xyz ├── 3161_58PyridinePyridineCHN150_dim_S66x8.xyz ├── 3162_58PyridinePyridineCHN200_dim_S66x8.xyz ├── 3163_59EthyneWaterCHO090_dim_S66x8.xyz ├── 3164_59EthyneWaterCHO095_dim_S66x8.xyz ├── 3165_59EthyneWaterCHO100_dim_S66x8.xyz ├── 3166_59EthyneWaterCHO105_dim_S66x8.xyz ├── 3167_59EthyneWaterCHO110_dim_S66x8.xyz ├── 3168_59EthyneWaterCHO125_dim_S66x8.xyz ├── 3169_59EthyneWaterCHO150_dim_S66x8.xyz ├── 3170_59EthyneWaterCHO200_dim_S66x8.xyz ├── 3171_60EthyneAcOHOHpi090_dim_S66x8.xyz ├── 3172_60EthyneAcOHOHpi095_dim_S66x8.xyz ├── 3173_60EthyneAcOHOHpi100_dim_S66x8.xyz ├── 3174_60EthyneAcOHOHpi105_dim_S66x8.xyz ├── 3175_60EthyneAcOHOHpi110_dim_S66x8.xyz ├── 3176_60EthyneAcOHOHpi125_dim_S66x8.xyz ├── 3177_60EthyneAcOHOHpi150_dim_S66x8.xyz ├── 3178_60EthyneAcOHOHpi200_dim_S66x8.xyz ├── 3179_61PentaneAcOH090_dim_S66x8.xyz ├── 3180_61PentaneAcOH095_dim_S66x8.xyz ├── 3181_61PentaneAcOH100_dim_S66x8.xyz ├── 3182_61PentaneAcOH105_dim_S66x8.xyz ├── 3183_61PentaneAcOH110_dim_S66x8.xyz ├── 3184_61PentaneAcOH125_dim_S66x8.xyz ├── 3185_61PentaneAcOH150_dim_S66x8.xyz ├── 3186_61PentaneAcOH200_dim_S66x8.xyz ├── 3187_62PentaneAcNH2090_dim_S66x8.xyz ├── 3188_62PentaneAcNH2095_dim_S66x8.xyz ├── 3189_62PentaneAcNH2100_dim_S66x8.xyz ├── 3190_62PentaneAcNH2105_dim_S66x8.xyz ├── 3191_62PentaneAcNH2110_dim_S66x8.xyz ├── 3192_62PentaneAcNH2125_dim_S66x8.xyz ├── 3193_62PentaneAcNH2150_dim_S66x8.xyz ├── 3194_62PentaneAcNH2200_dim_S66x8.xyz ├── 3195_63BenzeneAcOH090_dim_S66x8.xyz ├── 3196_63BenzeneAcOH095_dim_S66x8.xyz ├── 3197_63BenzeneAcOH100_dim_S66x8.xyz ├── 3198_63BenzeneAcOH105_dim_S66x8.xyz ├── 3199_63BenzeneAcOH110_dim_S66x8.xyz ├── 31_C4H4_H2O_OH__pi_dim_HW30.xyz ├── 31_C4H4_H2O_OH__pi_monA_HW30.xyz ├── 31_C4H4_H2O_OH__pi_monB_HW30.xyz ├── 31_Cl-_Se_PF3_dim_Bauza30.xyz ├── 31_Cl-_Se_PF3_monA_Bauza30.xyz ├── 31_Cl-_Se_PF3_monB_Bauza30.xyz ├── 31_FH-OH_TA13.xyz ├── 31_HBrNCH_XB18.xyz ├── 31_Isomer21_Styrene45.xyz ├── 31_MeCONHBr_HNBrBDE18.xyz ├── 31_NH3_HB49.xyz ├── 31_Reactant11_EIE22.xyz ├── 31_Rxn3_TS_2cat_WCPT27.xyz ├── 31_wat200_dim_HSG.xyz ├── 31_wat200_monA_HSG.xyz ├── 31_wat200_monB_HSG.xyz ├── 31prod_DIE60.xyz ├── 31react_DIE60.xyz ├── 3200_63BenzeneAcOH125_dim_S66x8.xyz ├── 3201_63BenzeneAcOH150_dim_S66x8.xyz ├── 3202_63BenzeneAcOH200_dim_S66x8.xyz ├── 3203_64PeptideEthene090_dim_S66x8.xyz ├── 3204_64PeptideEthene095_dim_S66x8.xyz ├── 3205_64PeptideEthene100_dim_S66x8.xyz ├── 3206_64PeptideEthene105_dim_S66x8.xyz ├── 3207_64PeptideEthene110_dim_S66x8.xyz ├── 3208_64PeptideEthene125_dim_S66x8.xyz ├── 3209_64PeptideEthene150_dim_S66x8.xyz ├── 3210_64PeptideEthene200_dim_S66x8.xyz ├── 3211_65PyridineEthyne090_dim_S66x8.xyz ├── 3212_65PyridineEthyne095_dim_S66x8.xyz ├── 3213_65PyridineEthyne100_dim_S66x8.xyz ├── 3214_65PyridineEthyne105_dim_S66x8.xyz ├── 3215_65PyridineEthyne110_dim_S66x8.xyz ├── 3216_65PyridineEthyne125_dim_S66x8.xyz ├── 3217_65PyridineEthyne150_dim_S66x8.xyz ├── 3218_65PyridineEthyne200_dim_S66x8.xyz ├── 3219_66MeNH2Pyridine090_dim_S66x8.xyz ├── 3220_66MeNH2Pyridine095_dim_S66x8.xyz ├── 3221_66MeNH2Pyridine100_dim_S66x8.xyz ├── 3222_66MeNH2Pyridine105_dim_S66x8.xyz ├── 3223_66MeNH2Pyridine110_dim_S66x8.xyz ├── 3224_66MeNH2Pyridine125_dim_S66x8.xyz ├── 3225_66MeNH2Pyridine150_dim_S66x8.xyz ├── 3226_66MeNH2Pyridine200_dim_S66x8.xyz ├── 32_Br-_Se_PF3_dim_Bauza30.xyz ├── 32_Br-_Se_PF3_monA_Bauza30.xyz ├── 32_Br-_Se_PF3_monB_Bauza30.xyz ├── 32_BrBr_FCCH_XB51.xyz ├── 32_C4H4_H2O_OH2__pi_dim_HW30.xyz ├── 32_C4H4_H2O_OH2__pi_monA_HW30.xyz ├── 32_C4H4_H2O_OH2__pi_monB_HW30.xyz ├── 32_HBrOCH2_XB18.xyz ├── 32_Isomer22_Styrene45.xyz ├── 32_MeCONHrad_HNBrBDE18.xyz ├── 32_NH3NH3_HB49.xyz ├── 32_Product11_EIE22.xyz ├── 32_Rxn4_TS_2cat_WCPT27.xyz ├── 32_al_TA13.xyz ├── 32prod_DIE60.xyz ├── 32react_DIE60.xyz ├── 33_BrBr_FMe_XB51.xyz ├── 33_C5H6_H2O_CH__O_dim_HW30.xyz ├── 33_C5H6_H2O_CH__O_monA_HW30.xyz ├── 33_C5H6_H2O_CH__O_monB_HW30.xyz ├── 33_FCONHBr_HNBrBDE18.xyz ├── 33_H3N_S_PF3_dim_Bauza30.xyz ├── 33_H3N_S_PF3_monA_Bauza30.xyz ├── 33_H3N_S_PF3_monB_Bauza30.xyz ├── 33_HCN_XB18.xyz ├── 33_Isomer23_Styrene45.xyz ├── 33_NH4H2O_HB49.xyz ├── 33_Reactant12_EIE22.xyz ├── 33_Rxn5_TS_2cat_WCPT27.xyz ├── 33_be+_TA13.xyz ├── 33_f-_BH76.xyz ├── 33prod_DIE60.xyz ├── 33react_DIE60.xyz ├── 34_C5H6_H2O_OH__pi_dim_HW30.xyz ├── 34_C5H6_H2O_OH__pi_monA_HW30.xyz ├── 34_C5H6_H2O_OH__pi_monB_HW30.xyz ├── 34_FCONHrad_HNBrBDE18.xyz ├── 34_H3N_Se_PF3_dim_Bauza30.xyz ├── 34_H3N_Se_PF3_monA_Bauza30.xyz ├── 34_H3N_Se_PF3_monB_Bauza30.xyz ├── 34_Isomer24_Styrene45.xyz ├── 34_NH4_HB49.xyz ├── 34_Product12_EIE22.xyz ├── 34_Rxn6_TS_2cat_WCPT27.xyz ├── 34_br_TA13.xyz ├── 34prod_DIE60.xyz ├── 34react_DIE60.xyz ├── 35_C5H6_H2O_OH2__pi_dim_HW30.xyz ├── 35_C5H6_H2O_OH2__pi_monA_HW30.xyz ├── 35_C5H6_H2O_OH2__pi_monB_HW30.xyz ├── 35_Cl-_PF3_dim_Bauza30.xyz ├── 35_Cl-_PF3_monA_Bauza30.xyz ├── 35_Cl-_PF3_monB_Bauza30.xyz ├── 35_Isomer25_Styrene45.xyz ├── 35_NCCONHBr_HNBrBDE18.xyz ├── 35_OCHF_HB49.xyz ├── 35_Reactant13_EIE22.xyz ├── 35_Rxn7_TS_2cat_WCPT27.xyz ├── 35_cl_TA13.xyz ├── 35_fch3clcomp1_BH76.xyz ├── 35prod_DIE60.xyz ├── 35react_DIE60.xyz ├── 36_Br-_PF3_dim_Bauza30.xyz ├── 36_Br-_PF3_monA_Bauza30.xyz ├── 36_Br-_PF3_monB_Bauza30.xyz ├── 36_BrBr_NH3_XB51.xyz ├── 36_C6H6_H2O_CH__O_dim_HW30.xyz ├── 36_C6H6_H2O_CH__O_monA_HW30.xyz ├── 36_C6H6_H2O_CH__O_monB_HW30.xyz ├── 36_Isomer26_Styrene45.xyz ├── 36_NCCONHrad_HNBrBDE18.xyz ├── 36_OHH2O_HB49.xyz ├── 36_Product13_EIE22.xyz ├── 36_Rxn8_TS_2cat_WCPT27.xyz ├── 36_f_TA13.xyz ├── 36_fch3clcomp2_BH76.xyz ├── 36prod_DIE60.xyz ├── 36react_DIE60.xyz ├── 37_C6H6_H2O_CH__Onp_dim_HW30.xyz ├── 37_C6H6_H2O_CH__Onp_monA_HW30.xyz ├── 37_C6H6_H2O_CH__Onp_monB_HW30.xyz ├── 37_Cl-_AsF3_dim_Bauza30.xyz ├── 37_Cl-_AsF3_monA_Bauza30.xyz ├── 37_Cl-_AsF3_monB_Bauza30.xyz ├── 37_HCONMeBr_HNBrBDE18.xyz ├── 37_Isomer27_Styrene45.xyz ├── 37_OH_HB49.xyz ├── 37_Reactant14_EIE22.xyz ├── 37_Rxn9_TS_2cat_WCPT27.xyz ├── 37_fch3clts_BH76.xyz ├── 37_li_TA13.xyz ├── 37prod_DIE60.xyz ├── 37react_DIE60.xyz ├── 38_Ac-_HB49.xyz ├── 38_Br-_AsF3_dim_Bauza30.xyz ├── 38_Br-_AsF3_monA_Bauza30.xyz ├── 38_Br-_AsF3_monB_Bauza30.xyz ├── 38_BrBr_OPH3_XB51.xyz ├── 38_C6H6_H2O_CH__Op_dim_HW30.xyz ├── 38_C6H6_H2O_CH__Op_monA_HW30.xyz ├── 38_C6H6_H2O_CH__Op_monB_HW30.xyz ├── 38_HCONMerad_HNBrBDE18.xyz ├── 38_Isomer28_Styrene45.xyz ├── 38_Product14_EIE22.xyz ├── 38prod_DIE60.xyz ├── 38react_DIE60.xyz ├── 3957_01waterammonia_dim_A24.xyz ├── 3957_01waterammonia_monA_A24.xyz ├── 3957_01waterammonia_monB_A24.xyz ├── 3958_02waterdimer_dim_A24.xyz ├── 3958_02waterdimer_monA_A24.xyz ├── 3958_02waterdimer_monB_A24.xyz ├── 3959_03HCNdimer_dim_A24.xyz ├── 3959_03HCNdimer_monA_A24.xyz ├── 3959_03HCNdimer_monB_A24.xyz ├── 3960_04HFdimer_dim_A24.xyz ├── 3960_04HFdimer_monA_A24.xyz ├── 3960_04HFdimer_monB_A24.xyz ├── 3961_05ammoniadimer_dim_A24.xyz ├── 3961_05ammoniadimer_monA_A24.xyz ├── 3961_05ammoniadimer_monB_A24.xyz ├── 3962_06HFmethane_dim_A24.xyz ├── 3962_06HFmethane_monA_A24.xyz ├── 3962_06HFmethane_monB_A24.xyz ├── 3963_07ammoniamethane_dim_A24.xyz ├── 3963_07ammoniamethane_monA_A24.xyz ├── 3963_07ammoniamethane_monB_A24.xyz ├── 3964_08watermethane_dim_A24.xyz ├── 3964_08watermethane_monA_A24.xyz ├── 3964_08watermethane_monB_A24.xyz ├── 3965_09formaldehydedimer_dim_A24.xyz ├── 3965_09formaldehydedimer_monA_A24.xyz ├── 3965_09formaldehydedimer_monB_A24.xyz ├── 3966_10waterethene_dim_A24.xyz ├── 3966_10waterethene_monA_A24.xyz ├── 3966_10waterethene_monB_A24.xyz ├── 3967_11formaldehydeethene_dim_A24.xyz ├── 3967_11formaldehydeethene_monA_A24.xyz ├── 3967_11formaldehydeethene_monB_A24.xyz ├── 3968_12ethynedimer_dim_A24.xyz ├── 3968_12ethynedimer_monA_A24.xyz ├── 3968_12ethynedimer_monB_A24.xyz ├── 3969_13ammoniaethene_dim_A24.xyz ├── 3969_13ammoniaethene_monA_A24.xyz ├── 3969_13ammoniaethene_monB_A24.xyz ├── 3970_14ethenedimer_dim_A24.xyz ├── 3970_14ethenedimer_monA_A24.xyz ├── 3970_14ethenedimer_monB_A24.xyz ├── 3971_15methaneethene_dim_A24.xyz ├── 3971_15methaneethene_monA_A24.xyz ├── 3971_15methaneethene_monB_A24.xyz ├── 3972_16boranemethane_dim_A24.xyz ├── 3972_16boranemethane_monA_A24.xyz ├── 3972_16boranemethane_monB_A24.xyz ├── 3973_17methaneethane_dim_A24.xyz ├── 3973_17methaneethane_monA_A24.xyz ├── 3973_17methaneethane_monB_A24.xyz ├── 3974_18methaneethane_dim_A24.xyz ├── 3974_18methaneethane_monA_A24.xyz ├── 3974_18methaneethane_monB_A24.xyz ├── 3975_19methanedimer_dim_A24.xyz ├── 3975_19methanedimer_monA_A24.xyz ├── 3975_19methanedimer_monB_A24.xyz ├── 3976_20Armethane_dim_A24.xyz ├── 3976_20Armethane_monA_A24.xyz ├── 3976_20Armethane_monB_A24.xyz ├── 3977_21Arethene_dim_A24.xyz ├── 3977_21Arethene_monA_A24.xyz ├── 3977_21Arethene_monB_A24.xyz ├── 3978_22etheneethyne_dim_A24.xyz ├── 3978_22etheneethyne_monA_A24.xyz ├── 3978_22etheneethyne_monB_A24.xyz ├── 3979_23ethenedimer_dim_A24.xyz ├── 3979_23ethenedimer_monA_A24.xyz ├── 3979_23ethenedimer_monB_A24.xyz ├── 3980_24ethynedimer_dim_A24.xyz ├── 3980_24ethynedimer_monA_A24.xyz ├── 3980_24ethynedimer_monB_A24.xyz ├── 39_Ac-H2O_HB49.xyz ├── 39_BrBr_PCH_XB51.xyz ├── 39_C6H6_H2O_OH__pi_dim_HW30.xyz ├── 39_C6H6_H2O_OH__pi_monA_HW30.xyz ├── 39_C6H6_H2O_OH__pi_monB_HW30.xyz ├── 39_H3N_PF3_dim_Bauza30.xyz ├── 39_H3N_PF3_monA_Bauza30.xyz ├── 39_H3N_PF3_monB_Bauza30.xyz ├── 39_Isomer29_Styrene45.xyz ├── 39_N-BrUrea_HNBrBDE18.xyz ├── 39_Reactant15_EIE22.xyz ├── 39_Rxn2_Reactant_WCPT27.xyz ├── 39prod_DIE60.xyz ├── 39react_DIE60.xyz ├── 3BHET_1.1_dimAB.xyz ├── 3BHET_1.1_dimAC.xyz ├── 3BHET_1.1_dimBC.xyz ├── 3BHET_1.1_monA.xyz ├── 3BHET_1.1_monB.xyz ├── 3BHET_1.1_monC.xyz ├── 3BHET_1.1_trim.xyz ├── 3BHET_1.2_dimAB.xyz ├── 3BHET_1.2_dimAC.xyz ├── 3BHET_1.2_dimBC.xyz ├── 3BHET_1.2_monA.xyz ├── 3BHET_1.2_monB.xyz ├── 3BHET_1.2_monC.xyz ├── 3BHET_1.2_trim.xyz ├── 3BHET_10.1_dimAB.xyz ├── 3BHET_10.1_dimAC.xyz ├── 3BHET_10.1_dimBC.xyz ├── 3BHET_10.1_monA.xyz ├── 3BHET_10.1_monB.xyz ├── 3BHET_10.1_monC.xyz ├── 3BHET_10.1_trim.xyz ├── 3BHET_10.2_dimAB.xyz ├── 3BHET_10.2_dimAC.xyz ├── 3BHET_10.2_dimBC.xyz ├── 3BHET_10.2_monA.xyz ├── 3BHET_10.2_monB.xyz ├── 3BHET_10.2_monC.xyz ├── 3BHET_10.2_trim.xyz ├── 3BHET_2.1_dimAB.xyz ├── 3BHET_2.1_dimAC.xyz ├── 3BHET_2.1_dimBC.xyz ├── 3BHET_2.1_monA.xyz ├── 3BHET_2.1_monB.xyz ├── 3BHET_2.1_monC.xyz ├── 3BHET_2.1_trim.xyz ├── 3BHET_2.2_dimAB.xyz ├── 3BHET_2.2_dimAC.xyz ├── 3BHET_2.2_dimBC.xyz ├── 3BHET_2.2_monA.xyz ├── 3BHET_2.2_monB.xyz ├── 3BHET_2.2_monC.xyz ├── 3BHET_2.2_trim.xyz ├── 3BHET_3.1_dimAB.xyz ├── 3BHET_3.1_dimAC.xyz ├── 3BHET_3.1_dimBC.xyz ├── 3BHET_3.1_monA.xyz ├── 3BHET_3.1_monB.xyz ├── 3BHET_3.1_monC.xyz ├── 3BHET_3.1_trim.xyz ├── 3BHET_3.2_dimAB.xyz ├── 3BHET_3.2_dimAC.xyz ├── 3BHET_3.2_dimBC.xyz ├── 3BHET_3.2_monA.xyz ├── 3BHET_3.2_monB.xyz ├── 3BHET_3.2_monC.xyz ├── 3BHET_3.2_trim.xyz ├── 3BHET_4.1_dimAB.xyz ├── 3BHET_4.1_dimAC.xyz ├── 3BHET_4.1_dimBC.xyz ├── 3BHET_4.1_monA.xyz ├── 3BHET_4.1_monB.xyz ├── 3BHET_4.1_monC.xyz ├── 3BHET_4.1_trim.xyz ├── 3BHET_4.2_dimAB.xyz ├── 3BHET_4.2_dimAC.xyz ├── 3BHET_4.2_dimBC.xyz ├── 3BHET_4.2_monA.xyz ├── 3BHET_4.2_monB.xyz ├── 3BHET_4.2_monC.xyz ├── 3BHET_4.2_trim.xyz ├── 3BHET_5.1_dimAB.xyz ├── 3BHET_5.1_dimAC.xyz ├── 3BHET_5.1_dimBC.xyz ├── 3BHET_5.1_monA.xyz ├── 3BHET_5.1_monB.xyz ├── 3BHET_5.1_monC.xyz ├── 3BHET_5.1_trim.xyz ├── 3BHET_5.2_dimAB.xyz ├── 3BHET_5.2_dimAC.xyz ├── 3BHET_5.2_dimBC.xyz ├── 3BHET_5.2_monA.xyz ├── 3BHET_5.2_monB.xyz ├── 3BHET_5.2_monC.xyz ├── 3BHET_5.2_trim.xyz ├── 3BHET_6.1_dimAB.xyz ├── 3BHET_6.1_dimAC.xyz ├── 3BHET_6.1_dimBC.xyz ├── 3BHET_6.1_monA.xyz ├── 3BHET_6.1_monB.xyz ├── 3BHET_6.1_monC.xyz ├── 3BHET_6.1_trim.xyz ├── 3BHET_6.2_dimAB.xyz ├── 3BHET_6.2_dimAC.xyz ├── 3BHET_6.2_dimBC.xyz ├── 3BHET_6.2_monA.xyz ├── 3BHET_6.2_monB.xyz ├── 3BHET_6.2_monC.xyz ├── 3BHET_6.2_trim.xyz ├── 3BHET_7.1_dimAB.xyz ├── 3BHET_7.1_dimAC.xyz ├── 3BHET_7.1_dimBC.xyz ├── 3BHET_7.1_monA.xyz ├── 3BHET_7.1_monB.xyz ├── 3BHET_7.1_monC.xyz ├── 3BHET_7.1_trim.xyz ├── 3BHET_7.2_dimAB.xyz ├── 3BHET_7.2_dimAC.xyz ├── 3BHET_7.2_dimBC.xyz ├── 3BHET_7.2_monA.xyz ├── 3BHET_7.2_monB.xyz ├── 3BHET_7.2_monC.xyz ├── 3BHET_7.2_trim.xyz ├── 3BHET_8.1_dimAB.xyz ├── 3BHET_8.1_dimAC.xyz ├── 3BHET_8.1_dimBC.xyz ├── 3BHET_8.1_monA.xyz ├── 3BHET_8.1_monB.xyz ├── 3BHET_8.1_monC.xyz ├── 3BHET_8.1_trim.xyz ├── 3BHET_8.2_dimAB.xyz ├── 3BHET_8.2_dimAC.xyz ├── 3BHET_8.2_dimBC.xyz ├── 3BHET_8.2_monA.xyz ├── 3BHET_8.2_monB.xyz ├── 3BHET_8.2_monC.xyz ├── 3BHET_8.2_trim.xyz ├── 3BHET_9.1_dimAB.xyz ├── 3BHET_9.1_dimAC.xyz ├── 3BHET_9.1_dimBC.xyz ├── 3BHET_9.1_monA.xyz ├── 3BHET_9.1_monB.xyz ├── 3BHET_9.1_monC.xyz ├── 3BHET_9.1_trim.xyz ├── 3BHET_9.2_dimAB.xyz ├── 3BHET_9.2_dimAC.xyz ├── 3BHET_9.2_dimBC.xyz ├── 3BHET_9.2_monA.xyz ├── 3BHET_9.2_monB.xyz ├── 3BHET_9.2_monC.xyz ├── 3BHET_9.2_trim.xyz ├── 3_3_3-1_SW49.xyz ├── 3_4_1-1_SW49.xyz ├── 3_4_2-1_SW49.xyz ├── 3_5_1-1_SW49.xyz ├── 3_5_1-2_SW49.xyz ├── 3_5_1-3_SW49.xyz ├── 3_6_0-1_SW49.xyz ├── 3_6_0-2_SW49.xyz ├── 3_6_0-3_SW49.xyz ├── 3d4dIPSS_Ag_GS+.xyz ├── 3d4dIPSS_Ag_GS.xyz ├── 3d4dIPSS_Cd_GS+.xyz ├── 3d4dIPSS_Cd_GS.xyz ├── 3d4dIPSS_Co_ES+.xyz ├── 3d4dIPSS_Co_GS+.xyz ├── 3d4dIPSS_Co_GS.xyz ├── 3d4dIPSS_Cr_GS+.xyz ├── 3d4dIPSS_Cr_GS.xyz ├── 3d4dIPSS_Cu_ES+.xyz ├── 3d4dIPSS_Cu_ES.xyz ├── 3d4dIPSS_Cu_GS+.xyz ├── 3d4dIPSS_Cu_GS.xyz ├── 3d4dIPSS_Fe_GS+.xyz ├── 3d4dIPSS_Fe_GS.xyz ├── 3d4dIPSS_Mn_ES.xyz ├── 3d4dIPSS_Mn_GS+.xyz ├── 3d4dIPSS_Mn_GS.xyz ├── 3d4dIPSS_Mo_GS+.xyz ├── 3d4dIPSS_Mo_GS.xyz ├── 3d4dIPSS_Nb_GS+.xyz ├── 3d4dIPSS_Nb_GS.xyz ├── 3d4dIPSS_Ni_ES+.xyz ├── 3d4dIPSS_Ni_GS+.xyz ├── 3d4dIPSS_Ni_GS.xyz ├── 3d4dIPSS_Pd_ES.xyz ├── 3d4dIPSS_Pd_GS+.xyz ├── 3d4dIPSS_Pd_GS.xyz ├── 3d4dIPSS_Rh_GS+.xyz ├── 3d4dIPSS_Rh_GS.xyz ├── 3d4dIPSS_Ru_GS+.xyz ├── 3d4dIPSS_Ru_GS.xyz ├── 3d4dIPSS_Sc_ES.xyz ├── 3d4dIPSS_Sc_GS+.xyz ├── 3d4dIPSS_Sc_GS.xyz ├── 3d4dIPSS_Tc_GS+.xyz ├── 3d4dIPSS_Tc_GS.xyz ├── 3d4dIPSS_Ti_ES.xyz ├── 3d4dIPSS_Ti_GS+.xyz ├── 3d4dIPSS_Ti_GS.xyz ├── 3d4dIPSS_V_ES.xyz ├── 3d4dIPSS_V_GS+.xyz ├── 3d4dIPSS_V_GS.xyz ├── 3d4dIPSS_Y_ES.xyz ├── 3d4dIPSS_Y_GS+.xyz ├── 3d4dIPSS_Y_GS.xyz ├── 3d4dIPSS_Zn_ES.xyz ├── 3d4dIPSS_Zn_GS+.xyz ├── 3d4dIPSS_Zn_GS.xyz ├── 3d4dIPSS_Zr_ES.xyz ├── 3d4dIPSS_Zr_GS+.xyz ├── 3d4dIPSS_Zr_GS.xyz ├── 3prod1_CR20.xyz ├── 3prod2_CR20.xyz ├── 3prod_DIE60.xyz ├── 3react_CR20.xyz ├── 3react_CRBH20.xyz ├── 3react_DIE60.xyz ├── 3ts_CRBH20.xyz ├── 40_Ac-MeNH2_HB49.xyz ├── 40_C6H6_H2O_OH2__pi_dim_HW30.xyz ├── 40_C6H6_H2O_OH2__pi_monA_HW30.xyz ├── 40_C6H6_H2O_OH2__pi_monB_HW30.xyz ├── 40_H3N_AsF3_dim_Bauza30.xyz ├── 40_H3N_AsF3_monA_Bauza30.xyz ├── 40_H3N_AsF3_monB_Bauza30.xyz ├── 40_Isomer30_Styrene45.xyz ├── 40_Product15_EIE22.xyz ├── 40_Rxn3_Reactant_WCPT27.xyz ├── 40_UreaNrad_HNBrBDE18.xyz ├── 40prod_DIE60.xyz ├── 40react_DIE60.xyz ├── 4113_01WaterWater_dim_S66.xyz ├── 4113_01WaterWater_monA_S66.xyz ├── 4113_01WaterWater_monB_S66.xyz ├── 4114_02WaterMeOH_dim_S66.xyz ├── 4114_02WaterMeOH_monA_S66.xyz ├── 4114_02WaterMeOH_monB_S66.xyz ├── 4115_03WaterMeNH2_dim_S66.xyz ├── 4115_03WaterMeNH2_monA_S66.xyz ├── 4115_03WaterMeNH2_monB_S66.xyz ├── 4116_04WaterPeptide_dim_S66.xyz ├── 4116_04WaterPeptide_monA_S66.xyz ├── 4116_04WaterPeptide_monB_S66.xyz ├── 4117_05MeOHMeOH_dim_S66.xyz ├── 4117_05MeOHMeOH_monA_S66.xyz ├── 4117_05MeOHMeOH_monB_S66.xyz ├── 4118_06MeOHMeNH2_dim_S66.xyz ├── 4118_06MeOHMeNH2_monA_S66.xyz ├── 4118_06MeOHMeNH2_monB_S66.xyz ├── 4119_07MeOHPeptide_dim_S66.xyz ├── 4119_07MeOHPeptide_monA_S66.xyz ├── 4119_07MeOHPeptide_monB_S66.xyz ├── 4120_08MeOHWater_dim_S66.xyz ├── 4120_08MeOHWater_monA_S66.xyz ├── 4120_08MeOHWater_monB_S66.xyz ├── 4121_09MeNH2MeOH_dim_S66.xyz ├── 4121_09MeNH2MeOH_monA_S66.xyz ├── 4121_09MeNH2MeOH_monB_S66.xyz ├── 4122_10MeNH2MeNH2_dim_S66.xyz ├── 4122_10MeNH2MeNH2_monA_S66.xyz ├── 4122_10MeNH2MeNH2_monB_S66.xyz ├── 4123_11MeNH2Peptide_dim_S66.xyz ├── 4123_11MeNH2Peptide_monA_S66.xyz ├── 4123_11MeNH2Peptide_monB_S66.xyz ├── 4124_12MeNH2Water_dim_S66.xyz ├── 4124_12MeNH2Water_monA_S66.xyz ├── 4124_12MeNH2Water_monB_S66.xyz ├── 4125_13PeptideMeOH_dim_S66.xyz ├── 4125_13PeptideMeOH_monA_S66.xyz ├── 4125_13PeptideMeOH_monB_S66.xyz ├── 4126_14PeptideMeNH2_dim_S66.xyz ├── 4126_14PeptideMeNH2_monA_S66.xyz ├── 4126_14PeptideMeNH2_monB_S66.xyz ├── 4127_15PeptidePeptide_dim_S66.xyz ├── 4127_15PeptidePeptide_monA_S66.xyz ├── 4127_15PeptidePeptide_monB_S66.xyz ├── 4128_16PeptideWater_dim_S66.xyz ├── 4128_16PeptideWater_monA_S66.xyz ├── 4128_16PeptideWater_monB_S66.xyz ├── 4129_17UracilUracilBP_dim_S66.xyz ├── 4129_17UracilUracilBP_monA_S66.xyz ├── 4129_17UracilUracilBP_monB_S66.xyz ├── 4130_18WaterPyridine_dim_S66.xyz ├── 4130_18WaterPyridine_monA_S66.xyz ├── 4130_18WaterPyridine_monB_S66.xyz ├── 4131_19MeOHPyridine_dim_S66.xyz ├── 4131_19MeOHPyridine_monA_S66.xyz ├── 4131_19MeOHPyridine_monB_S66.xyz ├── 4132_20AcOHAcOH_dim_S66.xyz ├── 4132_20AcOHAcOH_monA_S66.xyz ├── 4132_20AcOHAcOH_monB_S66.xyz ├── 4133_21AcNH2AcNH2_dim_S66.xyz ├── 4133_21AcNH2AcNH2_monA_S66.xyz ├── 4133_21AcNH2AcNH2_monB_S66.xyz ├── 4134_22AcOHUracil_dim_S66.xyz ├── 4134_22AcOHUracil_monA_S66.xyz ├── 4134_22AcOHUracil_monB_S66.xyz ├── 4135_23AcNH2Uracil_dim_S66.xyz ├── 4135_23AcNH2Uracil_monA_S66.xyz ├── 4135_23AcNH2Uracil_monB_S66.xyz ├── 4136_24BenzeneBenzenepipi_dim_S66.xyz ├── 4136_24BenzeneBenzenepipi_monA_S66.xyz ├── 4136_24BenzeneBenzenepipi_monB_S66.xyz ├── 4137_25PyridinePyridinepipi_dim_S66.xyz ├── 4137_25PyridinePyridinepipi_monA_S66.xyz ├── 4137_25PyridinePyridinepipi_monB_S66.xyz ├── 4138_26UracilUracilpipi_dim_S66.xyz ├── 4138_26UracilUracilpipi_monA_S66.xyz ├── 4138_26UracilUracilpipi_monB_S66.xyz ├── 4139_27BenzenePyridinepipi_dim_S66.xyz ├── 4139_27BenzenePyridinepipi_monA_S66.xyz ├── 4139_27BenzenePyridinepipi_monB_S66.xyz ├── 4140_28BenzeneUracilpipi_dim_S66.xyz ├── 4140_28BenzeneUracilpipi_monA_S66.xyz ├── 4140_28BenzeneUracilpipi_monB_S66.xyz ├── 4141_29PyridineUracilpipi_dim_S66.xyz ├── 4141_29PyridineUracilpipi_monA_S66.xyz ├── 4141_29PyridineUracilpipi_monB_S66.xyz ├── 4142_30BenzeneEthene_dim_S66.xyz ├── 4142_30BenzeneEthene_monA_S66.xyz ├── 4142_30BenzeneEthene_monB_S66.xyz ├── 4143_31UracilEthene_dim_S66.xyz ├── 4143_31UracilEthene_monA_S66.xyz ├── 4143_31UracilEthene_monB_S66.xyz ├── 4144_32UracilEthyne_dim_S66.xyz ├── 4144_32UracilEthyne_monA_S66.xyz ├── 4144_32UracilEthyne_monB_S66.xyz ├── 4145_33PyridineEthene_dim_S66.xyz ├── 4145_33PyridineEthene_monA_S66.xyz ├── 4145_33PyridineEthene_monB_S66.xyz ├── 4146_34PentanePentane_dim_S66.xyz ├── 4146_34PentanePentane_monA_S66.xyz ├── 4146_34PentanePentane_monB_S66.xyz ├── 4147_35NeopentanePentane_dim_S66.xyz ├── 4147_35NeopentanePentane_monA_S66.xyz ├── 4147_35NeopentanePentane_monB_S66.xyz ├── 4148_36NeopentaneNeopentane_dim_S66.xyz ├── 4148_36NeopentaneNeopentane_monA_S66.xyz ├── 4148_36NeopentaneNeopentane_monB_S66.xyz ├── 4149_37CyclopentaneNeopentane_dim_S66.xyz ├── 4149_37CyclopentaneNeopentane_monA_S66.xyz ├── 4149_37CyclopentaneNeopentane_monB_S66.xyz ├── 4150_38CyclopentaneCyclopentane_dim_S66.xyz ├── 4150_38CyclopentaneCyclopentane_monA_S66.xyz ├── 4150_38CyclopentaneCyclopentane_monB_S66.xyz ├── 4151_39BenzeneCyclopentane_dim_S66.xyz ├── 4151_39BenzeneCyclopentane_monA_S66.xyz ├── 4151_39BenzeneCyclopentane_monB_S66.xyz ├── 4152_40BenzeneNeopentane_dim_S66.xyz ├── 4152_40BenzeneNeopentane_monA_S66.xyz ├── 4152_40BenzeneNeopentane_monB_S66.xyz ├── 4153_41UracilPentane_dim_S66.xyz ├── 4153_41UracilPentane_monA_S66.xyz ├── 4153_41UracilPentane_monB_S66.xyz ├── 4154_42UracilCyclopentane_dim_S66.xyz ├── 4154_42UracilCyclopentane_monA_S66.xyz ├── 4154_42UracilCyclopentane_monB_S66.xyz ├── 4155_43UracilNeopentane_dim_S66.xyz ├── 4155_43UracilNeopentane_monA_S66.xyz ├── 4155_43UracilNeopentane_monB_S66.xyz ├── 4156_44EthenePentane_dim_S66.xyz ├── 4156_44EthenePentane_monA_S66.xyz ├── 4156_44EthenePentane_monB_S66.xyz ├── 4157_45EthynePentane_dim_S66.xyz ├── 4157_45EthynePentane_monA_S66.xyz ├── 4157_45EthynePentane_monB_S66.xyz ├── 4158_46PeptidePentane_dim_S66.xyz ├── 4158_46PeptidePentane_monA_S66.xyz ├── 4158_46PeptidePentane_monB_S66.xyz ├── 4159_47BenzeneBenzeneTS_dim_S66.xyz ├── 4159_47BenzeneBenzeneTS_monA_S66.xyz ├── 4159_47BenzeneBenzeneTS_monB_S66.xyz ├── 4160_48PyridinePyridineTS_dim_S66.xyz ├── 4160_48PyridinePyridineTS_monA_S66.xyz ├── 4160_48PyridinePyridineTS_monB_S66.xyz ├── 4161_49BenzenePyridineTS_dim_S66.xyz ├── 4161_49BenzenePyridineTS_monA_S66.xyz ├── 4161_49BenzenePyridineTS_monB_S66.xyz ├── 4162_50BenzeneEthyneCHpi_dim_S66.xyz ├── 4162_50BenzeneEthyneCHpi_monA_S66.xyz ├── 4162_50BenzeneEthyneCHpi_monB_S66.xyz ├── 4163_51EthyneEthyneTS_dim_S66.xyz ├── 4163_51EthyneEthyneTS_monA_S66.xyz ├── 4163_51EthyneEthyneTS_monB_S66.xyz ├── 4164_52BenzeneAcOHOHpi_dim_S66.xyz ├── 4164_52BenzeneAcOHOHpi_monA_S66.xyz ├── 4164_52BenzeneAcOHOHpi_monB_S66.xyz ├── 4165_53BenzeneAcNH2NHpi_dim_S66.xyz ├── 4165_53BenzeneAcNH2NHpi_monA_S66.xyz ├── 4165_53BenzeneAcNH2NHpi_monB_S66.xyz ├── 4166_54BenzeneWaterOHpi_dim_S66.xyz ├── 4166_54BenzeneWaterOHpi_monA_S66.xyz ├── 4166_54BenzeneWaterOHpi_monB_S66.xyz ├── 4167_55BenzeneMeOHOHpi_dim_S66.xyz ├── 4167_55BenzeneMeOHOHpi_monA_S66.xyz ├── 4167_55BenzeneMeOHOHpi_monB_S66.xyz ├── 4168_56BenzeneMeNH2NHpi_dim_S66.xyz ├── 4168_56BenzeneMeNH2NHpi_monA_S66.xyz ├── 4168_56BenzeneMeNH2NHpi_monB_S66.xyz ├── 4169_57BenzenePeptideNHpi_dim_S66.xyz ├── 4169_57BenzenePeptideNHpi_monA_S66.xyz ├── 4169_57BenzenePeptideNHpi_monB_S66.xyz ├── 4170_58PyridinePyridineCHN_dim_S66.xyz ├── 4170_58PyridinePyridineCHN_monA_S66.xyz ├── 4170_58PyridinePyridineCHN_monB_S66.xyz ├── 4171_59EthyneWaterCHO_dim_S66.xyz ├── 4171_59EthyneWaterCHO_monA_S66.xyz ├── 4171_59EthyneWaterCHO_monB_S66.xyz ├── 4172_60EthyneAcOHOHpi_dim_S66.xyz ├── 4172_60EthyneAcOHOHpi_monA_S66.xyz ├── 4172_60EthyneAcOHOHpi_monB_S66.xyz ├── 4173_61PentaneAcOH_dim_S66.xyz ├── 4173_61PentaneAcOH_monA_S66.xyz ├── 4173_61PentaneAcOH_monB_S66.xyz ├── 4174_62PentaneAcNH2_dim_S66.xyz ├── 4174_62PentaneAcNH2_monA_S66.xyz ├── 4174_62PentaneAcNH2_monB_S66.xyz ├── 4175_63BenzeneAcOH_dim_S66.xyz ├── 4175_63BenzeneAcOH_monA_S66.xyz ├── 4175_63BenzeneAcOH_monB_S66.xyz ├── 4176_64PeptideEthene_dim_S66.xyz ├── 4176_64PeptideEthene_monA_S66.xyz ├── 4176_64PeptideEthene_monB_S66.xyz ├── 4177_65PyridineEthyne_dim_S66.xyz ├── 4177_65PyridineEthyne_monA_S66.xyz ├── 4177_65PyridineEthyne_monB_S66.xyz ├── 4178_66MeNH2Pyridine_dim_S66.xyz ├── 4178_66MeNH2Pyridine_monA_S66.xyz ├── 4178_66MeNH2Pyridine_monB_S66.xyz ├── 4179_water2Cs_Shields38.xyz ├── 4180_water3UUD_Shields38.xyz ├── 4181_water3UUU_Shields38.xyz ├── 4182_water4S4_Shields38.xyz ├── 4183_water4Ci_Shields38.xyz ├── 4184_water4Py_Shields38.xyz ├── 4185_water5CYC_Shields38.xyz ├── 4186_water5CAA_Shields38.xyz ├── 4187_water5CAB_Shields38.xyz ├── 4188_water5CAC_Shields38.xyz ├── 4189_water5FRA_Shields38.xyz ├── 4190_water5FRB_Shields38.xyz ├── 4191_water5FRC_Shields38.xyz ├── 4192_water6BAG_Shields38.xyz ├── 4193_water6BK1_Shields38.xyz ├── 4194_water6BK2_Shields38.xyz ├── 4195_water6CA_Shields38.xyz ├── 4196_water6CB1_Shields38.xyz ├── 4197_water6CB2_Shields38.xyz ├── 4198_water6CC_Shields38.xyz ├── 4199_water6PR_Shields38.xyz ├── 41_Ac-MeOH_HB49.xyz ├── 41_BrBr_pyr_XB51.xyz ├── 41_CHO2NBr_HNBrBDE18.xyz ├── 41_Isomer31_Styrene45.xyz ├── 41_Reactant16_EIE22.xyz ├── 41prod_DIE60.xyz ├── 41react_DIE60.xyz ├── 4200_water7PR3_Shields38.xyz ├── 4201_water7BI2_Shields38.xyz ├── 4202_water7BI1_Shields38.xyz ├── 4203_water7PR1_Shields38.xyz ├── 4204_water7CH3_Shields38.xyz ├── 4205_water7CH2_Shields38.xyz ├── 4206_water7CA2_Shields38.xyz ├── 4207_water7HM1_Shields38.xyz ├── 4208_water7CA1_Shields38.xyz ├── 4209_water7PR2_Shields38.xyz ├── 4210_water7CH1_Shields38.xyz ├── 4211_water8D2d_Shields38.xyz ├── 4212_water8S4_Shields38.xyz ├── 4213_water9D2dDD_Shields38.xyz ├── 4214_water9S4DA_Shields38.xyz ├── 4215_water10PP1_Shields38.xyz ├── 4216_water10PP2_Shields38.xyz ├── 4217_waterC2v_Shields38.xyz ├── 42_AcNH2_HB49.xyz ├── 42_CHO2Nrad_HNBrBDE18.xyz ├── 42_H2_BH76.xyz ├── 42_Isomer32_Styrene45.xyz ├── 42_Product16_EIE22.xyz ├── 42_Rxn5_Reactant_WCPT27.xyz ├── 42prod_DIE60.xyz ├── 42react_DIE60.xyz ├── 43_AcNH2AcNH2_HB49.xyz ├── 43_H2C_NBr_HNBrBDE18.xyz ├── 43_H2O_BH76.xyz ├── 43_Isomer33_Styrene45.xyz ├── 43_Reactant17_EIE22.xyz ├── 43prod_DIE60.xyz ├── 43react_DIE60.xyz ├── 44_AcOH_HB49.xyz ├── 44_H2C_Nrad_HNBrBDE18.xyz ├── 44_H2S_BH76.xyz ├── 44_Isomer34_Styrene45.xyz ├── 44_Product17_EIE22.xyz ├── 44_Rxn7_Reactant_WCPT27.xyz ├── 44prod_DIE60.xyz ├── 44react_DIE60.xyz ├── 45_AcOHAcOH_HB49.xyz ├── 45_Isomer35_Styrene45.xyz ├── 45_MeCH_NBr_HNBrBDE18.xyz ├── 45_Reactant18_EIE22.xyz ├── 45_Rxn8_Reactant_WCPT27.xyz ├── 45_hclhts_BH76.xyz ├── 45prod_DIE60.xyz ├── 45react_DIE60.xyz ├── 46_EtAc_HB49.xyz ├── 46_Isomer36_Styrene45.xyz ├── 46_MeCH_Nrad_HNBrBDE18.xyz ├── 46_Product18_EIE22.xyz ├── 46_Rxn9_Reactant_WCPT27.xyz ├── 46_hcl_lower_BH76.xyz ├── 46prod_DIE60.xyz ├── 46react_DIE60.xyz ├── 47_Br_HNBrBDE18.xyz ├── 47_EtAcEtAc_HB49.xyz ├── 47_Isomer37_Styrene45.xyz ├── 47_Reactant19_EIE22.xyz ├── 47_Rxn1_Product_WCPT27.xyz ├── 47prod_DIE60.xyz ├── 47react_DIE60.xyz ├── 48_Formald_HB49.xyz ├── 48_Isomer38_Styrene45.xyz ├── 48_Product19_EIE22.xyz ├── 48_Rxn2_Product_WCPT27.xyz ├── 48_hcn_BH76.xyz ├── 48prod_DIE60.xyz ├── 48react_DIE60.xyz ├── 49_FormaldFormald_HB49.xyz ├── 49_Isomer39_Styrene45.xyz ├── 49_Reactant20_EIE22.xyz ├── 49_Rxn3_Product_WCPT27.xyz ├── 49_hcnts_BH76.xyz ├── 49prod_DIE60.xyz ├── 49react_DIE60.xyz ├── 4_4_4-1_SW49.xyz ├── 4_5_3-1_SW49.xyz ├── 4_5_3-2_SW49.xyz ├── 4_6_2-1_SW49.xyz ├── 4_6_2-2_SW49.xyz ├── 4_7_1-1_SW49.xyz ├── 4_7_1-2_SW49.xyz ├── 4_8_0-1_SW49.xyz ├── 4_8_0-2_SW49.xyz ├── 4_8_0-3_SW49.xyz ├── 4prod1_CR20.xyz ├── 4prod2_CR20.xyz ├── 4prod_DIE60.xyz ├── 4react_CR20.xyz ├── 4react_CRBH20.xyz ├── 4react_DIE60.xyz ├── 4ts_CRBH20.xyz ├── 50_Guand_HB49.xyz ├── 50_Isomer40_Styrene45.xyz ├── 50_Product20_EIE22.xyz ├── 50_Rxn4_Product_WCPT27.xyz ├── 50prod_DIE60.xyz ├── 50react_DIE60.xyz ├── 51_GuandFormald_HB49.xyz ├── 51_Reactant21_EIE22.xyz ├── 51_Rxn5_Product_WCPT27.xyz ├── 51prod_DIE60.xyz ├── 51react_DIE60.xyz ├── 52_GuandH2O_HB49.xyz ├── 52_Isomer42_Styrene45.xyz ├── 52_Product21_EIE22.xyz ├── 52_Rxn6_Product_WCPT27.xyz ├── 52prod_DIE60.xyz ├── 52react_DIE60.xyz ├── 53_GuandMeNH2_HB49.xyz ├── 53_Isomer43_Styrene45.xyz ├── 53_Reactant22_EIE22.xyz ├── 53_Rxn7_Product_WCPT27.xyz ├── 53prod_DIE60.xyz ├── 53react_DIE60.xyz ├── 54_GuandMeOH_HB49.xyz ├── 54_Isomer44_Styrene45.xyz ├── 54_Product22_EIE22.xyz ├── 54_Rxn8_Product_WCPT27.xyz ├── 54prod_DIE60.xyz ├── 54react_DIE60.xyz ├── 55_H2OMeNH2_HB49.xyz ├── 55_Isomer45_Styrene45.xyz ├── 55_Rxn9_Product_WCPT27.xyz ├── 55prod_DIE60.xyz ├── 55react_DIE60.xyz ├── 56_H2OMeOH_HB49.xyz ├── 56_Water_WCPT27.xyz ├── 56prod_DIE60.xyz ├── 56react_DIE60.xyz ├── 57_H2OPeptide_HB49.xyz ├── 57_h_lower_BH76.xyz ├── 57prod_DIE60.xyz ├── 57react_DIE60.xyz ├── 58_Imd_HB49.xyz ├── 58_hn2_BH76.xyz ├── 58prod_DIE60.xyz ├── 58react_DIE60.xyz ├── 59_ImdFormald_HB49.xyz ├── 59_hn2ts_BH76.xyz ├── 59prod_DIE60.xyz ├── 59react_DIE60.xyz ├── 5_10_0-1_SW49.xyz ├── 5_6_4-1_SW49.xyz ├── 5_6_4-2_SW49.xyz ├── 5_6_4-3_SW49.xyz ├── 5_6_4-4_SW49.xyz ├── 5_6_4-5_SW49.xyz ├── 5_6_4-6_SW49.xyz ├── 5_6_4-7_SW49.xyz ├── 5_6_4-8_SW49.xyz ├── 5_7_3-1_SW49.xyz ├── 5_7_3-2_SW49.xyz ├── 5_9_1-1_SW49.xyz ├── 5prod1_CR20.xyz ├── 5prod2_CR20.xyz ├── 5prod_DIE60.xyz ├── 5react_CR20.xyz ├── 5react_CRBH20.xyz ├── 5react_DIE60.xyz ├── 5ts_CRBH20.xyz ├── 60_ImdH2O_HB49.xyz ├── 60_hnc_BH76.xyz ├── 60prod_DIE60.xyz ├── 60react_DIE60.xyz ├── 61_ImdMeNH2_HB49.xyz ├── 62_BrBr_XB51.xyz ├── 62_ImdMeOH_HB49.xyz ├── 63_MeNH2_HB49.xyz ├── 63_hoch3fts_BH76.xyz ├── 64_FBr_XB51.xyz ├── 64_HS_BH76.xyz ├── 64_MeNH2H2O_HB49.xyz ├── 65_FCl_XB51.xyz ├── 65_H_upper_BH76.xyz ├── 65_MeNH2MeNH2_HB49.xyz ├── 66_MeNH2MeOH_HB49.xyz ├── 66_n2_BH76.xyz ├── 67_MeNH2Peptide_HB49.xyz ├── 67_n2o_BH76.xyz ├── 68_MeNH3_HB49.xyz ├── 68_NBS_XB51.xyz ├── 68_n2ohts_BH76.xyz ├── 69_MeNH3Formald_HB49.xyz ├── 6prod1_CR20.xyz ├── 6prod2_CR20.xyz ├── 6prod_DIE60.xyz ├── 6react_CR20.xyz ├── 6react_CRBH20.xyz ├── 6react_DIE60.xyz ├── 6ts_CRBH20.xyz ├── 70_MeNH3H2O_HB49.xyz ├── 70_PhBr_XB51.xyz ├── 71_MeNH3MeNH2_HB49.xyz ├── 72_FCCH_XB51.xyz ├── 72_MeNH3MeOH_HB49.xyz ├── 72_O_BH76.xyz ├── 73_FMe_XB51.xyz ├── 73_MeOH_HB49.xyz ├── 73_oh-_BH76.xyz ├── 74_MeOHH2O_HB49.xyz ├── 74_oh_lower_BH76.xyz ├── 75_MeOHMeNH2_HB49.xyz ├── 75_NCH_XB51.xyz ├── 75_OH_upper_BH76.xyz ├── 76_MeOHMeOH_HB49.xyz ├── 76_NH3_XB51.xyz ├── 77_MeOHPeptide_HB49.xyz ├── 78_OPH3_XB51.xyz ├── 78_Peptide_HB49.xyz ├── 79_PCH_XB51.xyz ├── 79_PeptideH2O_HB49.xyz ├── 7prod1_CR20.xyz ├── 7prod2_CR20.xyz ├── 7prod_DIE60.xyz ├── 7react_CR20.xyz ├── 7react_CRBH20.xyz ├── 7react_DIE60.xyz ├── 7ts_CRBH20.xyz ├── 80_PeptideMeNH2_HB49.xyz ├── 81_PeptideMeOH_HB49.xyz ├── 81_RKT04_BH76.xyz ├── 81_pyr_XB51.xyz ├── 89_RKT14_BH76.xyz ├── 8prod1_CR20.xyz ├── 8prod2_CR20.xyz ├── 8prod_DIE60.xyz ├── 8react_CR20.xyz ├── 8react_CRBH20.xyz ├── 8react_DIE60.xyz ├── 8ts_CRBH20.xyz ├── 90_RKT16_BH76.xyz ├── 9prod1_CR20.xyz ├── 9prod2_CR20.xyz ├── 9prod_DIE60.xyz ├── 9react_CR20.xyz ├── 9react_CRBH20.xyz ├── 9react_DIE60.xyz ├── 9ts_CRBH20.xyz ├── ACONF_B_G.xyz ├── ACONF_B_T.xyz ├── ACONF_H_g+t+g-.xyz ├── ACONF_H_g+x-g-.xyz ├── ACONF_H_g+x-t+.xyz ├── ACONF_H_ggg.xyz ├── ACONF_H_gtg.xyz ├── ACONF_H_gtt.xyz ├── ACONF_H_t+g+x-.xyz ├── ACONF_H_tgg.xyz ├── ACONF_H_tgt.xyz ├── ACONF_H_ttt.xyz ├── ACONF_H_x+g-g-.xyz ├── ACONF_H_x+g-x+.xyz ├── ACONF_P_GG.xyz ├── ACONF_P_GX.xyz ├── ACONF_P_TG.xyz ├── ACONF_P_TT.xyz ├── ADIM6_AD2.xyz ├── ADIM6_AD3.xyz ├── ADIM6_AD4.xyz ├── ADIM6_AD5.xyz ├── ADIM6_AD6.xyz ├── ADIM6_AD7.xyz ├── ADIM6_AM2.xyz ├── ADIM6_AM3.xyz ├── ADIM6_AM4.xyz ├── ADIM6_AM5.xyz ├── ADIM6_AM6.xyz ├── ADIM6_AM7.xyz ├── AE11_Ba.xyz ├── AE11_Ca.xyz ├── AE11_Cd.xyz ├── AE11_Hg.xyz ├── AE11_Kr.xyz ├── AE11_Pd.xyz ├── AE11_Rn.xyz ├── AE11_Sr.xyz ├── AE11_Xe.xyz ├── AE11_Yb.xyz ├── AE11_Zn.xyz ├── AHB21_1.xyz ├── AHB21_10.xyz ├── AHB21_10A.xyz ├── AHB21_10B.xyz ├── AHB21_11.xyz ├── AHB21_11A.xyz ├── AHB21_11B.xyz ├── AHB21_12.xyz ├── AHB21_12A.xyz ├── AHB21_12B.xyz ├── AHB21_13.xyz ├── AHB21_13A.xyz ├── AHB21_13B.xyz ├── AHB21_14.xyz ├── AHB21_14A.xyz ├── AHB21_14B.xyz ├── AHB21_15.xyz ├── AHB21_15A.xyz ├── AHB21_15B.xyz ├── AHB21_16.xyz ├── AHB21_16A.xyz ├── AHB21_16B.xyz ├── AHB21_17.xyz ├── AHB21_17A.xyz ├── AHB21_17B.xyz ├── AHB21_18.xyz ├── AHB21_18A.xyz ├── AHB21_18B.xyz ├── AHB21_19.xyz ├── AHB21_19A.xyz ├── AHB21_19B.xyz ├── AHB21_1A.xyz ├── AHB21_1B.xyz ├── AHB21_2.xyz ├── AHB21_20.xyz ├── AHB21_20A.xyz ├── AHB21_20B.xyz ├── AHB21_21.xyz ├── AHB21_21A.xyz ├── AHB21_21B.xyz ├── AHB21_2A.xyz ├── AHB21_2B.xyz ├── AHB21_3.xyz ├── AHB21_3A.xyz ├── AHB21_3B.xyz ├── AHB21_4.xyz ├── AHB21_4A.xyz ├── AHB21_4B.xyz ├── AHB21_5.xyz ├── AHB21_5A.xyz ├── AHB21_5B.xyz ├── AHB21_6.xyz ├── AHB21_6A.xyz ├── AHB21_6B.xyz ├── AHB21_7.xyz ├── AHB21_7A.xyz ├── AHB21_7B.xyz ├── AHB21_8.xyz ├── AHB21_8A.xyz ├── AHB21_8B.xyz ├── AHB21_9.xyz ├── AHB21_9A.xyz ├── AHB21_9B.xyz ├── AL2X6_al2cl6.xyz ├── AL2X6_al2f6.xyz ├── AL2X6_al2h6.xyz ├── AL2X6_al2me4.xyz ├── AL2X6_al2me5.xyz ├── AL2X6_al2me6.xyz ├── AL2X6_alcl3.xyz ├── AL2X6_alf3.xyz ├── AL2X6_alh3.xyz ├── AL2X6_alme2.xyz ├── AL2X6_alme3.xyz ├── ALK8_li+.xyz ├── ALK8_li2.xyz ├── ALK8_li2_ch2n_2.xyz ├── ALK8_li2_ch4.xyz ├── ALK8_li3_me.xyz ├── ALK8_li4_c.xyz ├── ALK8_li4_me4.xyz ├── ALK8_li5_ch.xyz ├── ALK8_li8.xyz ├── ALK8_li_ch2n.xyz ├── ALK8_li_h.xyz ├── ALK8_li_me.xyz ├── ALK8_li_na_h2.xyz ├── ALK8_na+.xyz ├── ALK8_na2.xyz ├── ALK8_na2_h2.xyz ├── ALK8_na8.xyz ├── ALKBDE10_be.xyz ├── ALKBDE10_bef.xyz ├── ALKBDE10_beo.xyz ├── ALKBDE10_ca.xyz ├── ALKBDE10_cao.xyz ├── ALKBDE10_f.xyz ├── ALKBDE10_h.xyz ├── ALKBDE10_hf.xyz ├── ALKBDE10_k.xyz ├── ALKBDE10_kf.xyz ├── ALKBDE10_li.xyz ├── ALKBDE10_lif.xyz ├── ALKBDE10_lio.xyz ├── ALKBDE10_mg.xyz ├── ALKBDE10_mgo.xyz ├── ALKBDE10_mgs.xyz ├── ALKBDE10_na.xyz ├── ALKBDE10_nao.xyz ├── ALKBDE10_o.xyz ├── ALKBDE10_s.xyz ├── Amino20x4_ALA_xab.xyz ├── Amino20x4_ALA_xac.xyz ├── Amino20x4_ALA_xag.xyz ├── Amino20x4_ALA_xai.xyz ├── Amino20x4_ALA_xak.xyz ├── Amino20x4_ARG_xak.xyz ├── Amino20x4_ARG_xbv.xyz ├── Amino20x4_ARG_xbx.xyz ├── Amino20x4_ARG_xby.xyz ├── Amino20x4_ARG_xci.xyz ├── Amino20x4_ASN_xab.xyz ├── Amino20x4_ASN_xae.xyz ├── Amino20x4_ASN_xaf.xyz ├── Amino20x4_ASN_xah.xyz ├── Amino20x4_ASN_xaj.xyz ├── Amino20x4_ASP_xad.xyz ├── Amino20x4_ASP_xau.xyz ├── Amino20x4_ASP_xay.xyz ├── Amino20x4_ASP_xaz.xyz ├── Amino20x4_ASP_xbc.xyz ├── Amino20x4_CYS_xag.xyz ├── Amino20x4_CYS_xah.xyz ├── Amino20x4_CYS_xai.xyz ├── Amino20x4_CYS_xal.xyz ├── Amino20x4_CYS_xao.xyz ├── Amino20x4_GLN_xai.xyz ├── Amino20x4_GLN_xal.xyz ├── Amino20x4_GLN_xan.xyz ├── Amino20x4_GLN_xap.xyz ├── Amino20x4_GLN_xat.xyz ├── Amino20x4_GLU_xad.xyz ├── Amino20x4_GLU_xal.xyz ├── Amino20x4_GLU_xar.xyz ├── Amino20x4_GLU_xav.xyz ├── Amino20x4_GLU_xbi.xyz ├── Amino20x4_GLY_xab.xyz ├── Amino20x4_GLY_xac.xyz ├── Amino20x4_GLY_xad.xyz ├── Amino20x4_GLY_xae.xyz ├── Amino20x4_GLY_xag.xyz ├── Amino20x4_HIS_xah.xyz ├── Amino20x4_HIS_xam.xyz ├── Amino20x4_HIS_xaq.xyz ├── Amino20x4_HIS_xau.xyz ├── Amino20x4_HIS_xav.xyz ├── Amino20x4_ILE_xae.xyz ├── Amino20x4_ILE_xag.xyz ├── Amino20x4_ILE_xaj.xyz ├── Amino20x4_ILE_xak.xyz ├── Amino20x4_ILE_xaq.xyz ├── Amino20x4_LEU_xad.xyz ├── Amino20x4_LEU_xae.xyz ├── Amino20x4_LEU_xap.xyz ├── Amino20x4_LEU_xaq.xyz ├── Amino20x4_LEU_xbb.xyz ├── Amino20x4_LYS_xan.xyz ├── Amino20x4_LYS_xao.xyz ├── Amino20x4_LYS_xap.xyz ├── Amino20x4_LYS_xas.xyz ├── Amino20x4_LYS_xat.xyz ├── Amino20x4_MET_xag.xyz ├── Amino20x4_MET_xav.xyz ├── Amino20x4_MET_xbf.xyz ├── Amino20x4_MET_xbm.xyz ├── Amino20x4_MET_xbo.xyz ├── Amino20x4_PHE_xab.xyz ├── Amino20x4_PHE_xal.xyz ├── Amino20x4_PHE_xan.xyz ├── Amino20x4_PHE_xar.xyz ├── Amino20x4_PHE_xaw.xyz ├── Amino20x4_PRO_xab.xyz ├── Amino20x4_PRO_xac.xyz ├── Amino20x4_PRO_xad.xyz ├── Amino20x4_PRO_xae.xyz ├── Amino20x4_PRO_xaf.xyz ├── Amino20x4_SER_xad.xyz ├── Amino20x4_SER_xaf.xyz ├── Amino20x4_SER_xah.xyz ├── Amino20x4_SER_xak.xyz ├── Amino20x4_SER_xar.xyz ├── Amino20x4_THR_xab.xyz ├── Amino20x4_THR_xag.xyz ├── Amino20x4_THR_xah.xyz ├── Amino20x4_THR_xal.xyz ├── Amino20x4_THR_xaq.xyz ├── Amino20x4_TRP_xac.xyz ├── Amino20x4_TRP_xaf.xyz ├── Amino20x4_TRP_xag.xyz ├── Amino20x4_TRP_xah.xyz ├── Amino20x4_TRP_xao.xyz ├── Amino20x4_TYR_xab.xyz ├── Amino20x4_TYR_xag.xyz ├── Amino20x4_TYR_xah.xyz ├── Amino20x4_TYR_xan.xyz ├── Amino20x4_TYR_xar.xyz ├── Amino20x4_VAL_xad.xyz ├── Amino20x4_VAL_xaf.xyz ├── Amino20x4_VAL_xah.xyz ├── Amino20x4_VAL_xaj.xyz ├── Amino20x4_VAL_xak.xyz ├── BH28_BHDIV_1_min.xyz ├── BH28_BHDIV_1_ts.xyz ├── BH28_BHDIV_2_min.xyz ├── BH28_BHDIV_2_ts.xyz ├── BH28_BHDIV_3_min.xyz ├── BH28_BHDIV_3_ts.xyz ├── BH28_BHPERI_1_min.xyz ├── BH28_BHPERI_1_ts.xyz ├── BH28_BHPERI_2_min.xyz ├── BH28_BHPERI_2_ts.xyz ├── BH28_BHPERI_3_min.xyz ├── BH28_BHPERI_3_ts.xyz ├── BH28_BHPERI_4_min.xyz ├── BH28_BHPERI_4_ts.xyz ├── BH28_BHPERI_5_min.xyz ├── BH28_BHPERI_5_ts.xyz ├── BH28_BHPERI_6_min.xyz ├── BH28_BHPERI_6_ts.xyz ├── BH28_CADBH_1_min.xyz ├── BH28_CADBH_1_ts.xyz ├── BH28_CADBH_2_min.xyz ├── BH28_CADBH_2_ts.xyz ├── BH28_CADBH_3_min.xyz ├── BH28_CADBH_3_ts.xyz ├── BH28_CADBH_4_min.xyz ├── BH28_CADBH_4_ts.xyz ├── BH28_CADBH_5_min.xyz ├── BH28_CADBH_5_ts.xyz ├── BH28_CADBH_6_min.xyz ├── BH28_CADBH_6_ts.xyz ├── BH28_CADBH_7_min.xyz ├── BH28_CADBH_7_ts.xyz ├── BH28_CADBH_8_min.xyz ├── BH28_CADBH_8_ts.xyz ├── BH28_CADBH_9_min.xyz ├── BH28_CADBH_9_ts.xyz ├── BH28_CADBH_c2h4.xyz ├── BH28_CRBH_1_min.xyz ├── BH28_CRBH_1_ts.xyz ├── BH28_CRBH_2_min.xyz ├── BH28_CRBH_2_ts.xyz ├── BH28_CRBH_3_min.xyz ├── BH28_CRBH_3_ts.xyz ├── BH28_CRBH_4_min.xyz ├── BH28_CRBH_4_ts.xyz ├── BH28_CRBH_5_min.xyz ├── BH28_CRBH_5_ts.xyz ├── BH28_CRBH_6_min.xyz ├── BH28_CRBH_6_ts.xyz ├── BH28_PXBH_1_min.xyz ├── BH28_PXBH_1_ts.xyz ├── BH28_PXBH_2_min.xyz ├── BH28_PXBH_2_ts.xyz ├── BH28_PXBH_3_min.xyz ├── BH28_PXBH_3_ts.xyz ├── BH28_PXBH_4_min.xyz ├── BH28_PXBH_4_ts.xyz ├── BH76_C2H5.xyz ├── BH76_C2H6.xyz ├── BH76_C5H8.xyz ├── BH76_CH3.xyz ├── BH76_CH3OH.xyz ├── BH76_CH4.xyz ├── BH76_Cl.xyz ├── BH76_F.xyz ├── BH76_H.xyz ├── BH76_H2.xyz ├── BH76_H2O.xyz ├── BH76_H2S.xyz ├── BH76_HCl.xyz ├── BH76_HF.xyz ├── BH76_HS.xyz ├── BH76_NH.xyz ├── BH76_NH2.xyz ├── BH76_NH3.xyz ├── BH76_O.xyz ├── BH76_OH.xyz ├── BH76_PH2.xyz ├── BH76_PH3.xyz ├── BH76_RKT01.xyz ├── BH76_RKT02.xyz ├── BH76_RKT03.xyz ├── BH76_RKT06.xyz ├── BH76_RKT07.xyz ├── BH76_RKT08.xyz ├── BH76_RKT09.xyz ├── BH76_RKT10.xyz ├── BH76_RKT11.xyz ├── BH76_RKT12.xyz ├── BH76_RKT17.xyz ├── BH76_RKT18.xyz ├── BH76_RKT19.xyz ├── BH76_RKT20.xyz ├── BH76_RKT21.xyz ├── BH76_RKT22.xyz ├── BH76_c2h4.xyz ├── BH76_c3h7.xyz ├── BH76_c3h7ts.xyz ├── BH76_ch3cl.xyz ├── BH76_ch3f.xyz ├── BH76_cl-.xyz ├── BH76_clch3clts.xyz ├── BH76_clf.xyz ├── BH76_co.xyz ├── BH76_f-.xyz ├── BH76_f2.xyz ├── BH76_fch3clcomp1.xyz ├── BH76_fch3clcomp2.xyz ├── BH76_fch3clts.xyz ├── BH76_fch3fcomp.xyz ├── BH76_fch3fts.xyz ├── BH76_hcn.xyz ├── BH76_hco.xyz ├── BH76_hcots.xyz ├── BH76_hf2ts.xyz ├── BH76_hfch3ts.xyz ├── BH76_hfhts.xyz ├── BH76_hn2.xyz ├── BH76_hnc.xyz ├── BH76_hoch3fcomp1.xyz ├── BH76_hoch3fcomp2.xyz ├── BH76_hoch3fts.xyz ├── BH76_n2.xyz ├── BH76_n2o.xyz ├── BH76_oh-.xyz ├── BH9_01_10P.xyz ├── BH9_01_10R.xyz ├── BH9_01_10TS.xyz ├── BH9_01_11P.xyz ├── BH9_01_11R.xyz ├── BH9_01_11TS.xyz ├── BH9_01_12P.xyz ├── BH9_01_12R.xyz ├── BH9_01_12TS.xyz ├── BH9_01_13P.xyz ├── BH9_01_13R.xyz ├── BH9_01_13TS.xyz ├── BH9_01_14P.xyz ├── BH9_01_14R.xyz ├── BH9_01_14TS.xyz ├── BH9_01_15P.xyz ├── BH9_01_15R.xyz ├── BH9_01_15TS.xyz ├── BH9_01_16P.xyz ├── BH9_01_16R.xyz ├── BH9_01_16TS.xyz ├── BH9_01_17P.xyz ├── BH9_01_17R.xyz ├── BH9_01_17TS.xyz ├── BH9_01_18P.xyz ├── BH9_01_18R.xyz ├── BH9_01_18TS.xyz ├── BH9_01_19P.xyz ├── BH9_01_19R.xyz ├── BH9_01_19TS.xyz ├── BH9_01_1P.xyz ├── BH9_01_1R.xyz ├── BH9_01_1TS.xyz ├── BH9_01_20P.xyz ├── BH9_01_20R.xyz ├── BH9_01_20TS.xyz ├── BH9_01_21P.xyz ├── BH9_01_21R.xyz ├── BH9_01_21TS.xyz ├── BH9_01_22P.xyz ├── BH9_01_22R.xyz ├── BH9_01_22TS.xyz ├── BH9_01_23P.xyz ├── BH9_01_23R.xyz ├── BH9_01_23TS.xyz ├── BH9_01_24P.xyz ├── BH9_01_24R.xyz ├── BH9_01_24TS.xyz ├── BH9_01_25P.xyz ├── BH9_01_25R.xyz ├── BH9_01_25TS.xyz ├── BH9_01_26P.xyz ├── BH9_01_26R.xyz ├── BH9_01_26TS.xyz ├── BH9_01_27P.xyz ├── BH9_01_27R.xyz ├── BH9_01_27TS.xyz ├── BH9_01_28P.xyz ├── BH9_01_28R.xyz ├── BH9_01_28TS.xyz ├── BH9_01_29P.xyz ├── BH9_01_29R.xyz ├── BH9_01_29TS.xyz ├── BH9_01_2P.xyz ├── BH9_01_2R.xyz ├── BH9_01_2TS.xyz ├── BH9_01_30P.xyz ├── BH9_01_30R.xyz ├── BH9_01_30TS.xyz ├── BH9_01_31P.xyz ├── BH9_01_31R.xyz ├── BH9_01_31TS.xyz ├── BH9_01_32P.xyz ├── BH9_01_32R.xyz ├── BH9_01_32TS.xyz ├── BH9_01_33P.xyz ├── BH9_01_33R.xyz ├── BH9_01_33TS.xyz ├── BH9_01_34P.xyz ├── BH9_01_34R.xyz ├── BH9_01_34TS.xyz ├── BH9_01_35P.xyz ├── BH9_01_35R.xyz ├── BH9_01_35TS.xyz ├── BH9_01_36P.xyz ├── BH9_01_36R.xyz ├── BH9_01_36TS.xyz ├── BH9_01_37P.xyz ├── BH9_01_37R.xyz ├── BH9_01_37TS.xyz ├── BH9_01_38P.xyz ├── BH9_01_38R.xyz ├── BH9_01_38TS.xyz ├── BH9_01_39P.xyz ├── BH9_01_39R.xyz ├── BH9_01_39TS.xyz ├── BH9_01_3P.xyz ├── BH9_01_3R.xyz ├── BH9_01_3TS.xyz ├── BH9_01_40P.xyz ├── BH9_01_40R.xyz ├── BH9_01_40TS.xyz ├── BH9_01_41P.xyz ├── BH9_01_41R.xyz ├── BH9_01_41TS.xyz ├── BH9_01_42P.xyz ├── BH9_01_42R.xyz ├── BH9_01_42TS.xyz ├── BH9_01_43P.xyz ├── BH9_01_43R.xyz ├── BH9_01_43TS.xyz ├── BH9_01_44P.xyz ├── BH9_01_44R.xyz ├── BH9_01_44TS.xyz ├── BH9_01_45P.xyz ├── BH9_01_45R.xyz ├── BH9_01_45TS.xyz ├── BH9_01_46P.xyz ├── BH9_01_46R1.xyz ├── BH9_01_46R2.xyz ├── BH9_01_46TS.xyz ├── BH9_01_47P.xyz ├── BH9_01_47R.xyz ├── BH9_01_47TS.xyz ├── BH9_01_48P.xyz ├── BH9_01_48R1.xyz ├── BH9_01_48R2.xyz ├── BH9_01_48TS.xyz ├── BH9_01_4P.xyz ├── BH9_01_4R.xyz ├── BH9_01_4TS.xyz ├── BH9_01_5P.xyz ├── BH9_01_5R.xyz ├── BH9_01_5TS.xyz ├── BH9_01_6P.xyz ├── BH9_01_6R.xyz ├── BH9_01_6TS.xyz ├── BH9_01_7P.xyz ├── BH9_01_7R.xyz ├── BH9_01_7TS.xyz ├── BH9_01_8P.xyz ├── BH9_01_8R.xyz ├── BH9_01_8TS.xyz ├── BH9_01_9P.xyz ├── BH9_01_9R1.xyz ├── BH9_01_9R2.xyz ├── BH9_01_9TS.xyz ├── BH9_02_100P.xyz ├── BH9_02_100R.xyz ├── BH9_02_100TS.xyz ├── BH9_02_101P.xyz ├── BH9_02_101R.xyz ├── BH9_02_101TS.xyz ├── BH9_02_102P.xyz ├── BH9_02_102R.xyz ├── BH9_02_102TS.xyz ├── BH9_02_103P.xyz ├── BH9_02_103R.xyz ├── BH9_02_103TS.xyz ├── BH9_02_104P.xyz ├── BH9_02_104R.xyz ├── BH9_02_104TS.xyz ├── BH9_02_105P.xyz ├── BH9_02_105R.xyz ├── BH9_02_105TS.xyz ├── BH9_02_106P.xyz ├── BH9_02_106R1.xyz ├── BH9_02_106R2.xyz ├── BH9_02_106TS.xyz ├── BH9_02_107P.xyz ├── BH9_02_107TS.xyz ├── BH9_02_108P.xyz ├── BH9_02_108TS.xyz ├── BH9_02_109P.xyz ├── BH9_02_109R.xyz ├── BH9_02_109TS.xyz ├── BH9_02_10P.xyz ├── BH9_02_10R.xyz ├── BH9_02_10TS.xyz ├── BH9_02_110P.xyz ├── BH9_02_110TS.xyz ├── BH9_02_111P.xyz ├── BH9_02_111R.xyz ├── BH9_02_111TS.xyz ├── BH9_02_112P.xyz ├── BH9_02_112R1.xyz ├── BH9_02_112R2.xyz ├── BH9_02_112TS.xyz ├── BH9_02_113P.xyz ├── BH9_02_113TS.xyz ├── BH9_02_114P.xyz ├── BH9_02_114TS.xyz ├── BH9_02_115P.xyz ├── BH9_02_115R1.xyz ├── BH9_02_115R2.xyz ├── BH9_02_115TS.xyz ├── BH9_02_116P.xyz ├── BH9_02_116TS.xyz ├── BH9_02_117P.xyz ├── BH9_02_117TS.xyz ├── BH9_02_118P.xyz ├── BH9_02_118R.xyz ├── BH9_02_118TS.xyz ├── BH9_02_119P.xyz ├── BH9_02_119R.xyz ├── BH9_02_119TS.xyz ├── BH9_02_11P.xyz ├── BH9_02_11R.xyz ├── BH9_02_11TS.xyz ├── BH9_02_120P.xyz ├── BH9_02_120R.xyz ├── BH9_02_120TS.xyz ├── BH9_02_121P.xyz ├── BH9_02_121TS.xyz ├── BH9_02_122P.xyz ├── BH9_02_122R.xyz ├── BH9_02_122TS.xyz ├── BH9_02_123P.xyz ├── BH9_02_123TS.xyz ├── BH9_02_124P.xyz ├── BH9_02_124R.xyz ├── BH9_02_124TS.xyz ├── BH9_02_125P.xyz ├── BH9_02_125TS.xyz ├── BH9_02_126P.xyz ├── BH9_02_126R.xyz ├── BH9_02_126TS.xyz ├── BH9_02_127P.xyz ├── BH9_02_127R.xyz ├── BH9_02_127TS.xyz ├── BH9_02_128P.xyz ├── BH9_02_128R.xyz ├── BH9_02_128TS.xyz ├── BH9_02_129P.xyz ├── BH9_02_129R.xyz ├── BH9_02_129TS.xyz ├── BH9_02_12P.xyz ├── BH9_02_12R.xyz ├── BH9_02_12TS.xyz ├── BH9_02_130P.xyz ├── BH9_02_130R.xyz ├── BH9_02_130TS.xyz ├── BH9_02_131P.xyz ├── BH9_02_131R.xyz ├── BH9_02_131TS.xyz ├── BH9_02_132P.xyz ├── BH9_02_132R.xyz ├── BH9_02_132TS.xyz ├── BH9_02_133P.xyz ├── BH9_02_133R.xyz ├── BH9_02_133TS.xyz ├── BH9_02_134P.xyz ├── BH9_02_134R.xyz ├── BH9_02_134TS.xyz ├── BH9_02_135P.xyz ├── BH9_02_135R.xyz ├── BH9_02_135TS.xyz ├── BH9_02_136P.xyz ├── BH9_02_136R.xyz ├── BH9_02_136TS.xyz ├── BH9_02_137P.xyz ├── BH9_02_137R.xyz ├── BH9_02_137TS.xyz ├── BH9_02_138P.xyz ├── BH9_02_138R.xyz ├── BH9_02_138TS.xyz ├── BH9_02_139P.xyz ├── BH9_02_139R.xyz ├── BH9_02_139TS.xyz ├── BH9_02_13P.xyz ├── BH9_02_13R.xyz ├── BH9_02_13TS.xyz ├── BH9_02_140P.xyz ├── BH9_02_140R.xyz ├── BH9_02_140TS.xyz ├── BH9_02_14P.xyz ├── BH9_02_14R.xyz ├── BH9_02_14TS.xyz ├── BH9_02_15P.xyz ├── BH9_02_15R.xyz ├── BH9_02_15TS.xyz ├── BH9_02_16P.xyz ├── BH9_02_16R.xyz ├── BH9_02_16TS.xyz ├── BH9_02_17P.xyz ├── BH9_02_17R.xyz ├── BH9_02_17TS.xyz ├── BH9_02_18P.xyz ├── BH9_02_18R.xyz ├── BH9_02_18TS.xyz ├── BH9_02_19P.xyz ├── BH9_02_19R.xyz ├── BH9_02_19TS.xyz ├── BH9_02_1P.xyz ├── BH9_02_1R1.xyz ├── BH9_02_1R2.xyz ├── BH9_02_1TS.xyz ├── BH9_02_20P.xyz ├── BH9_02_20R.xyz ├── BH9_02_20TS.xyz ├── BH9_02_21P.xyz ├── BH9_02_21R.xyz ├── BH9_02_21TS.xyz ├── BH9_02_22P.xyz ├── BH9_02_22R.xyz ├── BH9_02_22TS.xyz ├── BH9_02_23P.xyz ├── BH9_02_23R.xyz ├── BH9_02_23TS.xyz ├── BH9_02_24P.xyz ├── BH9_02_24R.xyz ├── BH9_02_24TS.xyz ├── BH9_02_25P.xyz ├── BH9_02_25R.xyz ├── BH9_02_25TS.xyz ├── BH9_02_26P.xyz ├── BH9_02_26R.xyz ├── BH9_02_26TS.xyz ├── BH9_02_27P.xyz ├── BH9_02_27R.xyz ├── BH9_02_27TS.xyz ├── BH9_02_28P.xyz ├── BH9_02_28R.xyz ├── BH9_02_28TS.xyz ├── BH9_02_29P.xyz ├── BH9_02_29R1.xyz ├── BH9_02_29R2.xyz ├── BH9_02_29TS.xyz ├── BH9_02_2P.xyz ├── BH9_02_2R1.xyz ├── BH9_02_2R2.xyz ├── BH9_02_2TS.xyz ├── BH9_02_30P.xyz ├── BH9_02_30R1.xyz ├── BH9_02_30R2.xyz ├── BH9_02_30TS.xyz ├── BH9_02_31P.xyz ├── BH9_02_31R1.xyz ├── BH9_02_31R2.xyz ├── BH9_02_31TS.xyz ├── BH9_02_32P.xyz ├── BH9_02_32R1.xyz ├── BH9_02_32R2.xyz ├── BH9_02_32TS.xyz ├── BH9_02_33P.xyz ├── BH9_02_33R.xyz ├── BH9_02_33TS.xyz ├── BH9_02_34P.xyz ├── BH9_02_34R.xyz ├── BH9_02_34TS.xyz ├── BH9_02_35P.xyz ├── BH9_02_35R.xyz ├── BH9_02_35TS.xyz ├── BH9_02_36P.xyz ├── BH9_02_36R.xyz ├── BH9_02_36TS.xyz ├── BH9_02_37P.xyz ├── BH9_02_37R.xyz ├── BH9_02_37TS.xyz ├── BH9_02_38P.xyz ├── BH9_02_38R.xyz ├── BH9_02_38TS.xyz ├── BH9_02_39P.xyz ├── BH9_02_39R.xyz ├── BH9_02_39TS.xyz ├── BH9_02_3P.xyz ├── BH9_02_3R1.xyz ├── BH9_02_3R2.xyz ├── BH9_02_3TS.xyz ├── BH9_02_40P.xyz ├── BH9_02_40R1.xyz ├── BH9_02_40R2.xyz ├── BH9_02_40TS.xyz ├── BH9_02_41P.xyz ├── BH9_02_41R1.xyz ├── BH9_02_41R2.xyz ├── BH9_02_41TS.xyz ├── BH9_02_42P.xyz ├── BH9_02_42R1.xyz ├── BH9_02_42R2.xyz ├── BH9_02_42TS.xyz ├── BH9_02_43P.xyz ├── BH9_02_43R1.xyz ├── BH9_02_43R2.xyz ├── BH9_02_43TS.xyz ├── BH9_02_44P.xyz ├── BH9_02_44R1.xyz ├── BH9_02_44R2.xyz ├── BH9_02_44TS.xyz ├── BH9_02_45P.xyz ├── BH9_02_45R1.xyz ├── BH9_02_45R2.xyz ├── BH9_02_45TS.xyz ├── BH9_02_46P.xyz ├── BH9_02_46R.xyz ├── BH9_02_46TS.xyz ├── BH9_02_47P.xyz ├── BH9_02_47R1.xyz ├── BH9_02_47R2.xyz ├── BH9_02_47TS.xyz ├── BH9_02_48P.xyz ├── BH9_02_48R1.xyz ├── BH9_02_48R2.xyz ├── BH9_02_48TS.xyz ├── BH9_02_49P.xyz ├── BH9_02_49R1.xyz ├── BH9_02_49R2.xyz ├── BH9_02_49TS.xyz ├── BH9_02_4P.xyz ├── BH9_02_4R1.xyz ├── BH9_02_4R2.xyz ├── BH9_02_4TS.xyz ├── BH9_02_50P.xyz ├── BH9_02_50R.xyz ├── BH9_02_50TS.xyz ├── BH9_02_51P1.xyz ├── BH9_02_51P2.xyz ├── BH9_02_51P3.xyz ├── BH9_02_51R1.xyz ├── BH9_02_51R2.xyz ├── BH9_02_51R3.xyz ├── BH9_02_51TS.xyz ├── BH9_02_52P.xyz ├── BH9_02_52R1.xyz ├── BH9_02_52R2.xyz ├── BH9_02_52TS.xyz ├── BH9_02_53P.xyz ├── BH9_02_53R1.xyz ├── BH9_02_53R2.xyz ├── BH9_02_53TS.xyz ├── BH9_02_54P.xyz ├── BH9_02_54R1.xyz ├── BH9_02_54R2.xyz ├── BH9_02_54TS.xyz ├── BH9_02_55P.xyz ├── BH9_02_55R1.xyz ├── BH9_02_55R2.xyz ├── BH9_02_55TS.xyz ├── BH9_02_56P.xyz ├── BH9_02_56R1.xyz ├── BH9_02_56R2.xyz ├── BH9_02_56TS.xyz ├── BH9_02_57P.xyz ├── BH9_02_57R1.xyz ├── BH9_02_57R2.xyz ├── BH9_02_57TS.xyz ├── BH9_02_58P.xyz ├── BH9_02_58R1.xyz ├── BH9_02_58R2.xyz ├── BH9_02_58TS.xyz ├── BH9_02_59P.xyz ├── BH9_02_59R1.xyz ├── BH9_02_59R2.xyz ├── BH9_02_59TS.xyz ├── BH9_02_5P.xyz ├── BH9_02_5R.xyz ├── BH9_02_5TS.xyz ├── BH9_02_60P.xyz ├── BH9_02_60R1.xyz ├── BH9_02_60R2.xyz ├── BH9_02_60TS.xyz ├── BH9_02_61P.xyz ├── BH9_02_61R1.xyz ├── BH9_02_61R2.xyz ├── BH9_02_61TS.xyz ├── BH9_02_62P.xyz ├── BH9_02_62R1.xyz ├── BH9_02_62R2.xyz ├── BH9_02_62TS.xyz ├── BH9_02_63P.xyz ├── BH9_02_63R.xyz ├── BH9_02_63TS.xyz ├── BH9_02_64P.xyz ├── BH9_02_64R.xyz ├── BH9_02_64TS.xyz ├── BH9_02_65P.xyz ├── BH9_02_65R.xyz ├── BH9_02_65TS.xyz ├── BH9_02_66P.xyz ├── BH9_02_66R.xyz ├── BH9_02_66TS.xyz ├── BH9_02_67P.xyz ├── BH9_02_67R1.xyz ├── BH9_02_67R2.xyz ├── BH9_02_67TS.xyz ├── BH9_02_68P.xyz ├── BH9_02_68R1.xyz ├── BH9_02_68R2.xyz ├── BH9_02_68TS.xyz ├── BH9_02_69P.xyz ├── BH9_02_69R1.xyz ├── BH9_02_69R2.xyz ├── BH9_02_69TS.xyz ├── BH9_02_6P.xyz ├── BH9_02_6R.xyz ├── BH9_02_6TS.xyz ├── BH9_02_70P.xyz ├── BH9_02_70R.xyz ├── BH9_02_70TS.xyz ├── BH9_02_71P.xyz ├── BH9_02_71R.xyz ├── BH9_02_71TS.xyz ├── BH9_02_72P.xyz ├── BH9_02_72R.xyz ├── BH9_02_72TS.xyz ├── BH9_02_73P.xyz ├── BH9_02_73R1.xyz ├── BH9_02_73R2.xyz ├── BH9_02_73TS.xyz ├── BH9_02_74P.xyz ├── BH9_02_74R.xyz ├── BH9_02_74TS.xyz ├── BH9_02_75P.xyz ├── BH9_02_75R1.xyz ├── BH9_02_75R2.xyz ├── BH9_02_75TS.xyz ├── BH9_02_76P.xyz ├── BH9_02_76R.xyz ├── BH9_02_76TS.xyz ├── BH9_02_77P.xyz ├── BH9_02_77R1.xyz ├── BH9_02_77R2.xyz ├── BH9_02_77TS.xyz ├── BH9_02_78P.xyz ├── BH9_02_78R.xyz ├── BH9_02_78TS.xyz ├── BH9_02_79P.xyz ├── BH9_02_79R1.xyz ├── BH9_02_79R2.xyz ├── BH9_02_79TS.xyz ├── BH9_02_7P.xyz ├── BH9_02_7R.xyz ├── BH9_02_7TS.xyz ├── BH9_02_80P.xyz ├── BH9_02_80R.xyz ├── BH9_02_80TS.xyz ├── BH9_02_81P.xyz ├── BH9_02_81R1.xyz ├── BH9_02_81R2.xyz ├── BH9_02_81TS.xyz ├── BH9_02_82P.xyz ├── BH9_02_82R1.xyz ├── BH9_02_82R2.xyz ├── BH9_02_82TS.xyz ├── BH9_02_83P.xyz ├── BH9_02_83R.xyz ├── BH9_02_83TS.xyz ├── BH9_02_84P.xyz ├── BH9_02_84R.xyz ├── BH9_02_84TS.xyz ├── BH9_02_85P.xyz ├── BH9_02_85R.xyz ├── BH9_02_85TS.xyz ├── BH9_02_86P.xyz ├── BH9_02_86R.xyz ├── BH9_02_86TS.xyz ├── BH9_02_87P.xyz ├── BH9_02_87R.xyz ├── BH9_02_87TS.xyz ├── BH9_02_88P.xyz ├── BH9_02_88R.xyz ├── BH9_02_88TS.xyz ├── BH9_02_89P.xyz ├── BH9_02_89R.xyz ├── BH9_02_89TS.xyz ├── BH9_02_8P.xyz ├── BH9_02_8R.xyz ├── BH9_02_8TS.xyz ├── BH9_02_90P.xyz ├── BH9_02_90R.xyz ├── BH9_02_90TS.xyz ├── BH9_02_91P.xyz ├── BH9_02_91R.xyz ├── BH9_02_91TS.xyz ├── BH9_02_92P.xyz ├── BH9_02_92R.xyz ├── BH9_02_92TS.xyz ├── BH9_02_93P.xyz ├── BH9_02_93R.xyz ├── BH9_02_93TS.xyz ├── BH9_02_94P.xyz ├── BH9_02_94R.xyz ├── BH9_02_94TS.xyz ├── BH9_02_95P.xyz ├── BH9_02_95R.xyz ├── BH9_02_95TS.xyz ├── BH9_02_96P.xyz ├── BH9_02_96R.xyz ├── BH9_02_96TS.xyz ├── BH9_02_97P.xyz ├── BH9_02_97R.xyz ├── BH9_02_97TS.xyz ├── BH9_02_98P.xyz ├── BH9_02_98R.xyz ├── BH9_02_98TS.xyz ├── BH9_02_99P.xyz ├── BH9_02_99R.xyz ├── BH9_02_99TS.xyz ├── BH9_02_9P.xyz ├── BH9_02_9R.xyz ├── BH9_02_9TS.xyz ├── BH9_03_10P1.xyz ├── BH9_03_10P2.xyz ├── BH9_03_10R1.xyz ├── BH9_03_10R2.xyz ├── BH9_03_10TS.xyz ├── BH9_03_11P1.xyz ├── BH9_03_11P2.xyz ├── BH9_03_11R1.xyz ├── BH9_03_11R2.xyz ├── BH9_03_11TS.xyz ├── BH9_03_12P1.xyz ├── BH9_03_12P2.xyz ├── BH9_03_12R1.xyz ├── BH9_03_12R2.xyz ├── BH9_03_12TS.xyz ├── BH9_03_13P1.xyz ├── BH9_03_13P2.xyz ├── BH9_03_13R1.xyz ├── BH9_03_13R2.xyz ├── BH9_03_13TS.xyz ├── BH9_03_14P1.xyz ├── BH9_03_14P2.xyz ├── BH9_03_14R1.xyz ├── BH9_03_14R2.xyz ├── BH9_03_14TS.xyz ├── BH9_03_15P1.xyz ├── BH9_03_15P2.xyz ├── BH9_03_15R1.xyz ├── BH9_03_15R2.xyz ├── BH9_03_15TS.xyz ├── BH9_03_16P1.xyz ├── BH9_03_16P2.xyz ├── BH9_03_16R1.xyz ├── BH9_03_16R2.xyz ├── BH9_03_16TS.xyz ├── BH9_03_17P1.xyz ├── BH9_03_17P2.xyz ├── BH9_03_17R1.xyz ├── BH9_03_17R2.xyz ├── BH9_03_17TS.xyz ├── BH9_03_18P1.xyz ├── BH9_03_18P2.xyz ├── BH9_03_18R1.xyz ├── BH9_03_18R2.xyz ├── BH9_03_18TS.xyz ├── BH9_03_19P1.xyz ├── BH9_03_19P2.xyz ├── BH9_03_19R1.xyz ├── BH9_03_19R2.xyz ├── BH9_03_19TS.xyz ├── BH9_03_1P1.xyz ├── BH9_03_1P2.xyz ├── BH9_03_1R1.xyz ├── BH9_03_1R2.xyz ├── BH9_03_1TS.xyz ├── BH9_03_20P1.xyz ├── BH9_03_20P2.xyz ├── BH9_03_20R1.xyz ├── BH9_03_20R2.xyz ├── BH9_03_20TS.xyz ├── BH9_03_21P1.xyz ├── BH9_03_21P2.xyz ├── BH9_03_21R1.xyz ├── BH9_03_21R2.xyz ├── BH9_03_21TS.xyz ├── BH9_03_22P1.xyz ├── BH9_03_22P2.xyz ├── BH9_03_22R1.xyz ├── BH9_03_22R2.xyz ├── BH9_03_22TS.xyz ├── BH9_03_23P1.xyz ├── BH9_03_23P2.xyz ├── BH9_03_23R1.xyz ├── BH9_03_23R2.xyz ├── BH9_03_23TS.xyz ├── BH9_03_24P1.xyz ├── BH9_03_24P2.xyz ├── BH9_03_24R1.xyz ├── BH9_03_24R2.xyz ├── BH9_03_24TS.xyz ├── BH9_03_25P.xyz ├── BH9_03_25R.xyz ├── BH9_03_25TS.xyz ├── BH9_03_26P1.xyz ├── BH9_03_26P2.xyz ├── BH9_03_26R1.xyz ├── BH9_03_26R2.xyz ├── BH9_03_26TS.xyz ├── BH9_03_27P1.xyz ├── BH9_03_27P2.xyz ├── BH9_03_27R1.xyz ├── BH9_03_27R2.xyz ├── BH9_03_27TS.xyz ├── BH9_03_28P1.xyz ├── BH9_03_28P2.xyz ├── BH9_03_28R1.xyz ├── BH9_03_28R2.xyz ├── BH9_03_28TS.xyz ├── BH9_03_29P1.xyz ├── BH9_03_29P2.xyz ├── BH9_03_29R1.xyz ├── BH9_03_29R2.xyz ├── BH9_03_29TS.xyz ├── BH9_03_2P1.xyz ├── BH9_03_2P2.xyz ├── BH9_03_2R1.xyz ├── BH9_03_2R2.xyz ├── BH9_03_2TS.xyz ├── BH9_03_30P1.xyz ├── BH9_03_30P2.xyz ├── BH9_03_30R1.xyz ├── BH9_03_30R2.xyz ├── BH9_03_30TS.xyz ├── BH9_03_31P1.xyz ├── BH9_03_31P2.xyz ├── BH9_03_31R1.xyz ├── BH9_03_31R2.xyz ├── BH9_03_31TS.xyz ├── BH9_03_32P1.xyz ├── BH9_03_32P2.xyz ├── BH9_03_32R1.xyz ├── BH9_03_32R2.xyz ├── BH9_03_32TS.xyz ├── BH9_03_33P1.xyz ├── BH9_03_33P2.xyz ├── BH9_03_33R1.xyz ├── BH9_03_33R2.xyz ├── BH9_03_33TS.xyz ├── BH9_03_34P1.xyz ├── BH9_03_34P2.xyz ├── BH9_03_34R1.xyz ├── BH9_03_34R2.xyz ├── BH9_03_34TS.xyz ├── BH9_03_35P1.xyz ├── BH9_03_35P2.xyz ├── BH9_03_35R1.xyz ├── BH9_03_35R2.xyz ├── BH9_03_35TS.xyz ├── BH9_03_36P1.xyz ├── BH9_03_36P2.xyz ├── BH9_03_36R1.xyz ├── BH9_03_36R2.xyz ├── BH9_03_36TS.xyz ├── BH9_03_37P1.xyz ├── BH9_03_37P2.xyz ├── BH9_03_37R1.xyz ├── BH9_03_37R2.xyz ├── BH9_03_37TS.xyz ├── BH9_03_38P1.xyz ├── BH9_03_38P2.xyz ├── BH9_03_38R1.xyz ├── BH9_03_38R2.xyz ├── BH9_03_38TS.xyz ├── BH9_03_39P1.xyz ├── BH9_03_39P2.xyz ├── BH9_03_39R1.xyz ├── BH9_03_39R2.xyz ├── BH9_03_39TS.xyz ├── BH9_03_3P1.xyz ├── BH9_03_3P2.xyz ├── BH9_03_3R1.xyz ├── BH9_03_3R2.xyz ├── BH9_03_3TS.xyz ├── BH9_03_40P1.xyz ├── BH9_03_40P2.xyz ├── BH9_03_40R1.xyz ├── BH9_03_40R2.xyz ├── BH9_03_40TS.xyz ├── BH9_03_41P1.xyz ├── BH9_03_41P2.xyz ├── BH9_03_41R1.xyz ├── BH9_03_41R2.xyz ├── BH9_03_41TS.xyz ├── BH9_03_42P1.xyz ├── BH9_03_42P2.xyz ├── BH9_03_42R1.xyz ├── BH9_03_42R2.xyz ├── BH9_03_42TS.xyz ├── BH9_03_43P1.xyz ├── BH9_03_43P2.xyz ├── BH9_03_43R1.xyz ├── BH9_03_43R2.xyz ├── BH9_03_43TS.xyz ├── BH9_03_4P1.xyz ├── BH9_03_4P2.xyz ├── BH9_03_4R1.xyz ├── BH9_03_4R2.xyz ├── BH9_03_4TS.xyz ├── BH9_03_5P1.xyz ├── BH9_03_5P2.xyz ├── BH9_03_5R1.xyz ├── BH9_03_5R2.xyz ├── BH9_03_5TS.xyz ├── BH9_03_6P1.xyz ├── BH9_03_6P2.xyz ├── BH9_03_6R1.xyz ├── BH9_03_6R2.xyz ├── BH9_03_6TS.xyz ├── BH9_03_7P1.xyz ├── BH9_03_7P2.xyz ├── BH9_03_7R1.xyz ├── BH9_03_7R2.xyz ├── BH9_03_7TS.xyz ├── BH9_03_8P1.xyz ├── BH9_03_8P2.xyz ├── BH9_03_8R1.xyz ├── BH9_03_8R2.xyz ├── BH9_03_8TS.xyz ├── BH9_03_9P1.xyz ├── BH9_03_9P2.xyz ├── BH9_03_9R1.xyz ├── BH9_03_9R2.xyz ├── BH9_03_9TS.xyz ├── BH9_04_10P1.xyz ├── BH9_04_10P2.xyz ├── BH9_04_10R1.xyz ├── BH9_04_10R2.xyz ├── BH9_04_10TS.xyz ├── BH9_04_11P1.xyz ├── BH9_04_11P2.xyz ├── BH9_04_11R1.xyz ├── BH9_04_11R2.xyz ├── BH9_04_11TS.xyz ├── BH9_04_12P1.xyz ├── BH9_04_12P2.xyz ├── BH9_04_12R1.xyz ├── BH9_04_12R2.xyz ├── BH9_04_12TS.xyz ├── BH9_04_13P1.xyz ├── BH9_04_13P2.xyz ├── BH9_04_13R1.xyz ├── BH9_04_13R2.xyz ├── BH9_04_13TS.xyz ├── BH9_04_14P1.xyz ├── BH9_04_14P2.xyz ├── BH9_04_14R1.xyz ├── BH9_04_14R2.xyz ├── BH9_04_14TS.xyz ├── BH9_04_15P1.xyz ├── BH9_04_15P2.xyz ├── BH9_04_15R1.xyz ├── BH9_04_15R2.xyz ├── BH9_04_15TS.xyz ├── BH9_04_16P1.xyz ├── BH9_04_16P2.xyz ├── BH9_04_16R1.xyz ├── BH9_04_16R2.xyz ├── BH9_04_16TS.xyz ├── BH9_04_17P1.xyz ├── BH9_04_17P2.xyz ├── BH9_04_17R1.xyz ├── BH9_04_17R2.xyz ├── BH9_04_17TS.xyz ├── BH9_04_18P.xyz ├── BH9_04_18R.xyz ├── BH9_04_18TS.xyz ├── BH9_04_19P.xyz ├── BH9_04_19R.xyz ├── BH9_04_19TS.xyz ├── BH9_04_1P.xyz ├── BH9_04_1R.xyz ├── BH9_04_1TS.xyz ├── BH9_04_20P.xyz ├── BH9_04_20R.xyz ├── BH9_04_20TS.xyz ├── BH9_04_21P.xyz ├── BH9_04_21R.xyz ├── BH9_04_21TS.xyz ├── BH9_04_22P1.xyz ├── BH9_04_22P2.xyz ├── BH9_04_22R1.xyz ├── BH9_04_22R2.xyz ├── BH9_04_22TS.xyz ├── BH9_04_23P1.xyz ├── BH9_04_23P2.xyz ├── BH9_04_23R1.xyz ├── BH9_04_23R2.xyz ├── BH9_04_23TS.xyz ├── BH9_04_24P1.xyz ├── BH9_04_24P2.xyz ├── BH9_04_24R1.xyz ├── BH9_04_24R2.xyz ├── BH9_04_24TS.xyz ├── BH9_04_25P1.xyz ├── BH9_04_25P2.xyz ├── BH9_04_25R1.xyz ├── BH9_04_25R2.xyz ├── BH9_04_25TS.xyz ├── BH9_04_26P1.xyz ├── BH9_04_26P2.xyz ├── BH9_04_26R1.xyz ├── BH9_04_26R2.xyz ├── BH9_04_26TS.xyz ├── BH9_04_27P1.xyz ├── BH9_04_27P2.xyz ├── BH9_04_27R1.xyz ├── BH9_04_27R2.xyz ├── BH9_04_27TS.xyz ├── BH9_04_28P.xyz ├── BH9_04_28R.xyz ├── BH9_04_28TS.xyz ├── BH9_04_29P1.xyz ├── BH9_04_29P2.xyz ├── BH9_04_29R1.xyz ├── BH9_04_29R2.xyz ├── BH9_04_29TS.xyz ├── BH9_04_2P1.xyz ├── BH9_04_2P2.xyz ├── BH9_04_2R1.xyz ├── BH9_04_2R2.xyz ├── BH9_04_2TS.xyz ├── BH9_04_30P1.xyz ├── BH9_04_30P2.xyz ├── BH9_04_30R1.xyz ├── BH9_04_30R2.xyz ├── BH9_04_30TS.xyz ├── BH9_04_31P.xyz ├── BH9_04_31R.xyz ├── BH9_04_31TS.xyz ├── BH9_04_32P1.xyz ├── BH9_04_32P2.xyz ├── BH9_04_32R1.xyz ├── BH9_04_32R2.xyz ├── BH9_04_32TS.xyz ├── BH9_04_33P1.xyz ├── BH9_04_33P2.xyz ├── BH9_04_33R1.xyz ├── BH9_04_33R2.xyz ├── BH9_04_33TS.xyz ├── BH9_04_34P1.xyz ├── BH9_04_34P2.xyz ├── BH9_04_34R1.xyz ├── BH9_04_34R2.xyz ├── BH9_04_34TS.xyz ├── BH9_04_35P1.xyz ├── BH9_04_35P2.xyz ├── BH9_04_35R1.xyz ├── BH9_04_35R2.xyz ├── BH9_04_35TS.xyz ├── BH9_04_36P.xyz ├── BH9_04_36R.xyz ├── BH9_04_36TS.xyz ├── BH9_04_37P.xyz ├── BH9_04_37R.xyz ├── BH9_04_37TS.xyz ├── BH9_04_38P1.xyz ├── BH9_04_38P2.xyz ├── BH9_04_38R1.xyz ├── BH9_04_38R2.xyz ├── BH9_04_38TS.xyz ├── BH9_04_39P1.xyz ├── BH9_04_39P2.xyz ├── BH9_04_39R1.xyz ├── BH9_04_39R2.xyz ├── BH9_04_39TS.xyz ├── BH9_04_3P1.xyz ├── BH9_04_3P2.xyz ├── BH9_04_3R1.xyz ├── BH9_04_3R2.xyz ├── BH9_04_3TS.xyz ├── BH9_04_40P1.xyz ├── BH9_04_40P2.xyz ├── BH9_04_40R1.xyz ├── BH9_04_40R2.xyz ├── BH9_04_40TS.xyz ├── BH9_04_41P.xyz ├── BH9_04_41R.xyz ├── BH9_04_41TS.xyz ├── BH9_04_42P.xyz ├── BH9_04_42R.xyz ├── BH9_04_42TS.xyz ├── BH9_04_43P.xyz ├── BH9_04_43R.xyz ├── BH9_04_43TS.xyz ├── BH9_04_44P1.xyz ├── BH9_04_44P2.xyz ├── BH9_04_44R1.xyz ├── BH9_04_44R2.xyz ├── BH9_04_44TS.xyz ├── BH9_04_45P1.xyz ├── BH9_04_45P2.xyz ├── BH9_04_45R1.xyz ├── BH9_04_45R2.xyz ├── BH9_04_45TS.xyz ├── BH9_04_46P1.xyz ├── BH9_04_46P2.xyz ├── BH9_04_46R1.xyz ├── BH9_04_46R2.xyz ├── BH9_04_46TS.xyz ├── BH9_04_47P1.xyz ├── BH9_04_47P2.xyz ├── BH9_04_47R1.xyz ├── BH9_04_47R2.xyz ├── BH9_04_47TS.xyz ├── BH9_04_48P1.xyz ├── BH9_04_48P2.xyz ├── BH9_04_48R1.xyz ├── BH9_04_48R2.xyz ├── BH9_04_48TS.xyz ├── BH9_04_49P1.xyz ├── BH9_04_49P2.xyz ├── BH9_04_49R1.xyz ├── BH9_04_49R2.xyz ├── BH9_04_49TS.xyz ├── BH9_04_4P.xyz ├── BH9_04_4R.xyz ├── BH9_04_4TS.xyz ├── BH9_04_50P1.xyz ├── BH9_04_50P2.xyz ├── BH9_04_50R1.xyz ├── BH9_04_50R2.xyz ├── BH9_04_50TS.xyz ├── BH9_04_51P1.xyz ├── BH9_04_51P2.xyz ├── BH9_04_51R1.xyz ├── BH9_04_51R2.xyz ├── BH9_04_51TS.xyz ├── BH9_04_52P1.xyz ├── BH9_04_52P2.xyz ├── BH9_04_52R1.xyz ├── BH9_04_52R2.xyz ├── BH9_04_52TS.xyz ├── BH9_04_53P1.xyz ├── BH9_04_53P2.xyz ├── BH9_04_53R1.xyz ├── BH9_04_53R2.xyz ├── BH9_04_53TS.xyz ├── BH9_04_54P1.xyz ├── BH9_04_54P2.xyz ├── BH9_04_54R1.xyz ├── BH9_04_54R2.xyz ├── BH9_04_54TS.xyz ├── BH9_04_55P1.xyz ├── BH9_04_55P2.xyz ├── BH9_04_55R1.xyz ├── BH9_04_55R2.xyz ├── BH9_04_55TS.xyz ├── BH9_04_56P.xyz ├── BH9_04_56R.xyz ├── BH9_04_56TS.xyz ├── BH9_04_57P1.xyz ├── BH9_04_57P2.xyz ├── BH9_04_57R1.xyz ├── BH9_04_57R2.xyz ├── BH9_04_57TS.xyz ├── BH9_04_58P1.xyz ├── BH9_04_58P2.xyz ├── BH9_04_58R1.xyz ├── BH9_04_58R2.xyz ├── BH9_04_58TS.xyz ├── BH9_04_59P1.xyz ├── BH9_04_59P2.xyz ├── BH9_04_59R1.xyz ├── BH9_04_59R2.xyz ├── BH9_04_59TS.xyz ├── BH9_04_5P1.xyz ├── BH9_04_5P2.xyz ├── BH9_04_5R1.xyz ├── BH9_04_5R2.xyz ├── BH9_04_5TS.xyz ├── BH9_04_60P1.xyz ├── BH9_04_60P2.xyz ├── BH9_04_60R1.xyz ├── BH9_04_60R2.xyz ├── BH9_04_60TS.xyz ├── BH9_04_61P.xyz ├── BH9_04_61R.xyz ├── BH9_04_61TS.xyz ├── BH9_04_62P1.xyz ├── BH9_04_62P2.xyz ├── BH9_04_62R1.xyz ├── BH9_04_62R2.xyz ├── BH9_04_62TS.xyz ├── BH9_04_63P1.xyz ├── BH9_04_63P2.xyz ├── BH9_04_63R1.xyz ├── BH9_04_63R2.xyz ├── BH9_04_63TS.xyz ├── BH9_04_64P.xyz ├── BH9_04_64R.xyz ├── BH9_04_64TS.xyz ├── BH9_04_65P1.xyz ├── BH9_04_65P2.xyz ├── BH9_04_65R1.xyz ├── BH9_04_65R2.xyz ├── BH9_04_65TS.xyz ├── BH9_04_66P1.xyz ├── BH9_04_66P2.xyz ├── BH9_04_66R1.xyz ├── BH9_04_66R2.xyz ├── BH9_04_66TS.xyz ├── BH9_04_67P1.xyz ├── BH9_04_67P2.xyz ├── BH9_04_67R1.xyz ├── BH9_04_67R2.xyz ├── BH9_04_67TS.xyz ├── BH9_04_68P1.xyz ├── BH9_04_68P2.xyz ├── BH9_04_68R1.xyz ├── BH9_04_68R2.xyz ├── BH9_04_68TS.xyz ├── BH9_04_69P.xyz ├── BH9_04_69R.xyz ├── BH9_04_69TS.xyz ├── BH9_04_6P1.xyz ├── BH9_04_6P2.xyz ├── BH9_04_6R1.xyz ├── BH9_04_6R2.xyz ├── BH9_04_6TS.xyz ├── BH9_04_70P1.xyz ├── BH9_04_70P2.xyz ├── BH9_04_70R1.xyz ├── BH9_04_70R2.xyz ├── BH9_04_70TS.xyz ├── BH9_04_71P1.xyz ├── BH9_04_71P2.xyz ├── BH9_04_71R1.xyz ├── BH9_04_71R2.xyz ├── BH9_04_71TS.xyz ├── BH9_04_72P.xyz ├── BH9_04_72R.xyz ├── BH9_04_72TS.xyz ├── BH9_04_73P1.xyz ├── BH9_04_73P2.xyz ├── BH9_04_73R1.xyz ├── BH9_04_73R2.xyz ├── BH9_04_73TS.xyz ├── BH9_04_74P1.xyz ├── BH9_04_74P2.xyz ├── BH9_04_74R1.xyz ├── BH9_04_74R2.xyz ├── BH9_04_74TS.xyz ├── BH9_04_75P1.xyz ├── BH9_04_75P2.xyz ├── BH9_04_75R1.xyz ├── BH9_04_75R2.xyz ├── BH9_04_75TS.xyz ├── BH9_04_76P.xyz ├── BH9_04_76R.xyz ├── BH9_04_76TS.xyz ├── BH9_04_77P1.xyz ├── BH9_04_77P2.xyz ├── BH9_04_77R1.xyz ├── BH9_04_77R2.xyz ├── BH9_04_77TS.xyz ├── BH9_04_78P.xyz ├── BH9_04_78R.xyz ├── BH9_04_78TS.xyz ├── BH9_04_79P1.xyz ├── BH9_04_79P2.xyz ├── BH9_04_79R1.xyz ├── BH9_04_79R2.xyz ├── BH9_04_79TS.xyz ├── BH9_04_7P1.xyz ├── BH9_04_7P2.xyz ├── BH9_04_7R1.xyz ├── BH9_04_7R2.xyz ├── BH9_04_7TS.xyz ├── BH9_04_80P1.xyz ├── BH9_04_80P2.xyz ├── BH9_04_80R1.xyz ├── BH9_04_80R2.xyz ├── BH9_04_80TS.xyz ├── BH9_04_81P1.xyz ├── BH9_04_81P2.xyz ├── BH9_04_81R1.xyz ├── BH9_04_81R2.xyz ├── BH9_04_81TS.xyz ├── BH9_04_82P1.xyz ├── BH9_04_82P2.xyz ├── BH9_04_82R1.xyz ├── BH9_04_82R2.xyz ├── BH9_04_82TS.xyz ├── BH9_04_83P1.xyz ├── BH9_04_83P2.xyz ├── BH9_04_83R1.xyz ├── BH9_04_83R2.xyz ├── BH9_04_83TS.xyz ├── BH9_04_84P.xyz ├── BH9_04_84R.xyz ├── BH9_04_84TS.xyz ├── BH9_04_85P1.xyz ├── BH9_04_85P2.xyz ├── BH9_04_85R1.xyz ├── BH9_04_85R2.xyz ├── BH9_04_85TS.xyz ├── BH9_04_86P1.xyz ├── BH9_04_86P2.xyz ├── BH9_04_86R1.xyz ├── BH9_04_86R2.xyz ├── BH9_04_86TS.xyz ├── BH9_04_87P1.xyz ├── BH9_04_87P2.xyz ├── BH9_04_87R1.xyz ├── BH9_04_87R2.xyz ├── BH9_04_87TS.xyz ├── BH9_04_88P.xyz ├── BH9_04_88R.xyz ├── BH9_04_88TS.xyz ├── BH9_04_89P1.xyz ├── BH9_04_89P2.xyz ├── BH9_04_89R1.xyz ├── BH9_04_89R2.xyz ├── BH9_04_89TS.xyz ├── BH9_04_8P.xyz ├── BH9_04_8R.xyz ├── BH9_04_8TS.xyz ├── BH9_04_90P1.xyz ├── BH9_04_90P2.xyz ├── BH9_04_90R1.xyz ├── BH9_04_90R2.xyz ├── BH9_04_90TS.xyz ├── BH9_04_9P1.xyz ├── BH9_04_9P2.xyz ├── BH9_04_9R1.xyz ├── BH9_04_9R2.xyz ├── BH9_04_9TS.xyz ├── BH9_05_10P1.xyz ├── BH9_05_10P2.xyz ├── BH9_05_10R1.xyz ├── BH9_05_10R2.xyz ├── BH9_05_10TS.xyz ├── BH9_05_11P1.xyz ├── BH9_05_11P2.xyz ├── BH9_05_11R1.xyz ├── BH9_05_11R2.xyz ├── BH9_05_11TS.xyz ├── BH9_05_12P1.xyz ├── BH9_05_12P2.xyz ├── BH9_05_12R1.xyz ├── BH9_05_12R2.xyz ├── BH9_05_12TS.xyz ├── BH9_05_13P1.xyz ├── BH9_05_13P2.xyz ├── BH9_05_13R1.xyz ├── BH9_05_13R2.xyz ├── BH9_05_13TS.xyz ├── BH9_05_14P1.xyz ├── BH9_05_14P2.xyz ├── BH9_05_14R1.xyz ├── BH9_05_14R2.xyz ├── BH9_05_14TS.xyz ├── BH9_05_15P1.xyz ├── BH9_05_15P2.xyz ├── BH9_05_15R1.xyz ├── BH9_05_15R2.xyz ├── BH9_05_15TS.xyz ├── BH9_05_16P1.xyz ├── BH9_05_16P2.xyz ├── BH9_05_16R1.xyz ├── BH9_05_16R2.xyz ├── BH9_05_16TS.xyz ├── BH9_05_17P1.xyz ├── BH9_05_17P2.xyz ├── BH9_05_17R1.xyz ├── BH9_05_17R2.xyz ├── BH9_05_17TS.xyz ├── BH9_05_18P1.xyz ├── BH9_05_18P2.xyz ├── BH9_05_18R1.xyz ├── BH9_05_18R2.xyz ├── BH9_05_18TS.xyz ├── BH9_05_19P1.xyz ├── BH9_05_19P2.xyz ├── BH9_05_19R1.xyz ├── BH9_05_19R2.xyz ├── BH9_05_19TS.xyz ├── BH9_05_1P.xyz ├── BH9_05_1R.xyz ├── BH9_05_1TS.xyz ├── BH9_05_20P1.xyz ├── BH9_05_20P2.xyz ├── BH9_05_20R1.xyz ├── BH9_05_20R2.xyz ├── BH9_05_20TS.xyz ├── BH9_05_21P1.xyz ├── BH9_05_21P2.xyz ├── BH9_05_21R1.xyz ├── BH9_05_21R2.xyz ├── BH9_05_21TS.xyz ├── BH9_05_22P1.xyz ├── BH9_05_22P2.xyz ├── BH9_05_22R1.xyz ├── BH9_05_22R2.xyz ├── BH9_05_22TS.xyz ├── BH9_05_23P1.xyz ├── BH9_05_23P2.xyz ├── BH9_05_23R1.xyz ├── BH9_05_23R2.xyz ├── BH9_05_23TS.xyz ├── BH9_05_24P1.xyz ├── BH9_05_24P2.xyz ├── BH9_05_24R1.xyz ├── BH9_05_24R2.xyz ├── BH9_05_24TS.xyz ├── BH9_05_25P1.xyz ├── BH9_05_25P2.xyz ├── BH9_05_25R1.xyz ├── BH9_05_25R2.xyz ├── BH9_05_25TS.xyz ├── BH9_05_26P1.xyz ├── BH9_05_26P2.xyz ├── BH9_05_26R1.xyz ├── BH9_05_26R2.xyz ├── BH9_05_26TS.xyz ├── BH9_05_27P1.xyz ├── BH9_05_27P2.xyz ├── BH9_05_27R1.xyz ├── BH9_05_27R2.xyz ├── BH9_05_27TS.xyz ├── BH9_05_28P1.xyz ├── BH9_05_28P2.xyz ├── BH9_05_28R1.xyz ├── BH9_05_28R2.xyz ├── BH9_05_28TS.xyz ├── BH9_05_29P1.xyz ├── BH9_05_29P2.xyz ├── BH9_05_29R1.xyz ├── BH9_05_29R2.xyz ├── BH9_05_29TS.xyz ├── BH9_05_2P.xyz ├── BH9_05_2R.xyz ├── BH9_05_2TS.xyz ├── BH9_05_30P1.xyz ├── BH9_05_30P2.xyz ├── BH9_05_30R1.xyz ├── BH9_05_30R2.xyz ├── BH9_05_30TS.xyz ├── BH9_05_31P1.xyz ├── BH9_05_31P2.xyz ├── BH9_05_31R1.xyz ├── BH9_05_31R2.xyz ├── BH9_05_31TS.xyz ├── BH9_05_32P1.xyz ├── BH9_05_32P2.xyz ├── BH9_05_32R1.xyz ├── BH9_05_32R2.xyz ├── BH9_05_32TS.xyz ├── BH9_05_33P1.xyz ├── BH9_05_33P2.xyz ├── BH9_05_33R1.xyz ├── BH9_05_33R2.xyz ├── BH9_05_33TS.xyz ├── BH9_05_34P1.xyz ├── BH9_05_34P2.xyz ├── BH9_05_34R1.xyz ├── BH9_05_34R2.xyz ├── BH9_05_34TS.xyz ├── BH9_05_35P1.xyz ├── BH9_05_35P2.xyz ├── BH9_05_35R1.xyz ├── BH9_05_35R2.xyz ├── BH9_05_35TS.xyz ├── BH9_05_36P1.xyz ├── BH9_05_36P2.xyz ├── BH9_05_36R1.xyz ├── BH9_05_36R2.xyz ├── BH9_05_36TS.xyz ├── BH9_05_37P1.xyz ├── BH9_05_37P2.xyz ├── BH9_05_37R1.xyz ├── BH9_05_37R2.xyz ├── BH9_05_37TS.xyz ├── BH9_05_38P1.xyz ├── BH9_05_38P2.xyz ├── BH9_05_38R1.xyz ├── BH9_05_38R2.xyz ├── BH9_05_38TS.xyz ├── BH9_05_39P1.xyz ├── BH9_05_39P2.xyz ├── BH9_05_39R1.xyz ├── BH9_05_39R2.xyz ├── BH9_05_39TS.xyz ├── BH9_05_3P.xyz ├── BH9_05_3R.xyz ├── BH9_05_3TS.xyz ├── BH9_05_40P1.xyz ├── BH9_05_40P2.xyz ├── BH9_05_40R1.xyz ├── BH9_05_40R2.xyz ├── BH9_05_40TS.xyz ├── BH9_05_41P1.xyz ├── BH9_05_41P2.xyz ├── BH9_05_41R1.xyz ├── BH9_05_41R2.xyz ├── BH9_05_41TS.xyz ├── BH9_05_42P1.xyz ├── BH9_05_42P2.xyz ├── BH9_05_42R1.xyz ├── BH9_05_42R2.xyz ├── BH9_05_42TS.xyz ├── BH9_05_4P.xyz ├── BH9_05_4R.xyz ├── BH9_05_4TS.xyz ├── BH9_05_5P1.xyz ├── BH9_05_5P2.xyz ├── BH9_05_5R1.xyz ├── BH9_05_5R2.xyz ├── BH9_05_5TS.xyz ├── BH9_05_6P.xyz ├── BH9_05_6R.xyz ├── BH9_05_6TS.xyz ├── BH9_05_7P1.xyz ├── BH9_05_7P2.xyz ├── BH9_05_7R1.xyz ├── BH9_05_7R2.xyz ├── BH9_05_7TS.xyz ├── BH9_05_8P.xyz ├── BH9_05_8R.xyz ├── BH9_05_8TS.xyz ├── BH9_05_9P.xyz ├── BH9_05_9R.xyz ├── BH9_05_9TS.xyz ├── BH9_06_10P.xyz ├── BH9_06_10R1.xyz ├── BH9_06_10R2.xyz ├── BH9_06_10TS.xyz ├── BH9_06_11P.xyz ├── BH9_06_11R1.xyz ├── BH9_06_11R2.xyz ├── BH9_06_11TS.xyz ├── BH9_06_12P.xyz ├── BH9_06_12R.xyz ├── BH9_06_12TS.xyz ├── BH9_06_13P.xyz ├── BH9_06_13R.xyz ├── BH9_06_13TS.xyz ├── BH9_06_14P.xyz ├── BH9_06_14R.xyz ├── BH9_06_14TS.xyz ├── BH9_06_15P.xyz ├── BH9_06_15R1.xyz ├── BH9_06_15R2.xyz ├── BH9_06_15TS.xyz ├── BH9_06_16P.xyz ├── BH9_06_16R.xyz ├── BH9_06_16TS.xyz ├── BH9_06_17P.xyz ├── BH9_06_17R.xyz ├── BH9_06_17TS.xyz ├── BH9_06_18P1.xyz ├── BH9_06_18P2.xyz ├── BH9_06_18R1.xyz ├── BH9_06_18R2.xyz ├── BH9_06_18TS.xyz ├── BH9_06_19P.xyz ├── BH9_06_19R1.xyz ├── BH9_06_19R2.xyz ├── BH9_06_19TS.xyz ├── BH9_06_1P1.xyz ├── BH9_06_1P2.xyz ├── BH9_06_1R1.xyz ├── BH9_06_1R2.xyz ├── BH9_06_1TS.xyz ├── BH9_06_20P.xyz ├── BH9_06_20R1.xyz ├── BH9_06_20R2.xyz ├── BH9_06_20TS.xyz ├── BH9_06_21P1.xyz ├── BH9_06_21P2.xyz ├── BH9_06_21R1.xyz ├── BH9_06_21R2.xyz ├── BH9_06_21TS.xyz ├── BH9_06_22P.xyz ├── BH9_06_22R1.xyz ├── BH9_06_22R2.xyz ├── BH9_06_22TS.xyz ├── BH9_06_23P.xyz ├── BH9_06_23R1.xyz ├── BH9_06_23R2.xyz ├── BH9_06_23TS.xyz ├── BH9_06_24P.xyz ├── BH9_06_24R1.xyz ├── BH9_06_24R2.xyz ├── BH9_06_24TS.xyz ├── BH9_06_25P.xyz ├── BH9_06_25R1.xyz ├── BH9_06_25R2.xyz ├── BH9_06_25TS.xyz ├── BH9_06_26P.xyz ├── BH9_06_26R1.xyz ├── BH9_06_26R2.xyz ├── BH9_06_26TS.xyz ├── BH9_06_27P.xyz ├── BH9_06_27R.xyz ├── BH9_06_27TS.xyz ├── BH9_06_28P.xyz ├── BH9_06_28R.xyz ├── BH9_06_28TS.xyz ├── BH9_06_29P.xyz ├── BH9_06_29R.xyz ├── BH9_06_29TS.xyz ├── BH9_06_2P.xyz ├── BH9_06_2R1.xyz ├── BH9_06_2R2.xyz ├── BH9_06_2TS.xyz ├── BH9_06_30P.xyz ├── BH9_06_30R.xyz ├── BH9_06_30TS.xyz ├── BH9_06_31P.xyz ├── BH9_06_31R1.xyz ├── BH9_06_31R2.xyz ├── BH9_06_31TS.xyz ├── BH9_06_32P.xyz ├── BH9_06_32R1.xyz ├── BH9_06_32R2.xyz ├── BH9_06_32TS.xyz ├── BH9_06_33P1.xyz ├── BH9_06_33P2.xyz ├── BH9_06_33R1.xyz ├── BH9_06_33R2.xyz ├── BH9_06_33TS.xyz ├── BH9_06_34P.xyz ├── BH9_06_34R1.xyz ├── BH9_06_34R2.xyz ├── BH9_06_34TS.xyz ├── BH9_06_35P.xyz ├── BH9_06_35R1.xyz ├── BH9_06_35R2.xyz ├── BH9_06_35TS.xyz ├── BH9_06_3P.xyz ├── BH9_06_3R1.xyz ├── BH9_06_3R2.xyz ├── BH9_06_3TS.xyz ├── BH9_06_4P.xyz ├── BH9_06_4R1.xyz ├── BH9_06_4R2.xyz ├── BH9_06_4TS.xyz ├── BH9_06_5P.xyz ├── BH9_06_5R1.xyz ├── BH9_06_5R2.xyz ├── BH9_06_5TS.xyz ├── BH9_06_6P.xyz ├── BH9_06_6R1.xyz ├── BH9_06_6R2.xyz ├── BH9_06_6TS.xyz ├── BH9_06_7P1.xyz ├── BH9_06_7P2.xyz ├── BH9_06_7R1.xyz ├── BH9_06_7R2.xyz ├── BH9_06_7TS.xyz ├── BH9_06_8P.xyz ├── BH9_06_8R1.xyz ├── BH9_06_8R2.xyz ├── BH9_06_8TS.xyz ├── BH9_06_9P.xyz ├── BH9_06_9R1.xyz ├── BH9_06_9R2.xyz ├── BH9_06_9TS.xyz ├── BH9_07_10P1.xyz ├── BH9_07_10P2.xyz ├── BH9_07_10R1.xyz ├── BH9_07_10R2.xyz ├── BH9_07_10TS.xyz ├── BH9_07_1P.xyz ├── BH9_07_1R.xyz ├── BH9_07_1TS.xyz ├── BH9_07_2P.xyz ├── BH9_07_2R.xyz ├── BH9_07_2TS.xyz ├── BH9_07_3P.xyz ├── BH9_07_3R.xyz ├── BH9_07_3TS.xyz ├── BH9_07_4P1.xyz ├── BH9_07_4P2.xyz ├── BH9_07_4R1.xyz ├── BH9_07_4R2.xyz ├── BH9_07_4TS.xyz ├── BH9_07_5P.xyz ├── BH9_07_5R.xyz ├── BH9_07_5TS.xyz ├── BH9_07_6P.xyz ├── BH9_07_6R.xyz ├── BH9_07_6TS.xyz ├── BH9_07_7P.xyz ├── BH9_07_7R.xyz ├── BH9_07_7TS.xyz ├── BH9_07_8P1.xyz ├── BH9_07_8P2.xyz ├── BH9_07_8R1.xyz ├── BH9_07_8R2.xyz ├── BH9_07_8TS.xyz ├── BH9_07_9P1.xyz ├── BH9_07_9P2.xyz ├── BH9_07_9R1.xyz ├── BH9_07_9R2.xyz ├── BH9_07_9TS.xyz ├── BH9_08_10P1.xyz ├── BH9_08_10P2.xyz ├── BH9_08_10R1.xyz ├── BH9_08_10R2.xyz ├── BH9_08_10TS.xyz ├── BH9_08_11P1.xyz ├── BH9_08_11P2.xyz ├── BH9_08_11R1.xyz ├── BH9_08_11R2.xyz ├── BH9_08_11TS.xyz ├── BH9_08_12P1.xyz ├── BH9_08_12P2.xyz ├── BH9_08_12R1.xyz ├── BH9_08_12R2.xyz ├── BH9_08_12TS.xyz ├── BH9_08_13P1.xyz ├── BH9_08_13P2.xyz ├── BH9_08_13R1.xyz ├── BH9_08_13R2.xyz ├── BH9_08_13TS.xyz ├── BH9_08_14P1.xyz ├── BH9_08_14P2.xyz ├── BH9_08_14R1.xyz ├── BH9_08_14R2.xyz ├── BH9_08_14TS.xyz ├── BH9_08_15P1.xyz ├── BH9_08_15P2.xyz ├── BH9_08_15R1.xyz ├── BH9_08_15R2.xyz ├── BH9_08_15TS.xyz ├── BH9_08_1P1.xyz ├── BH9_08_1P2.xyz ├── BH9_08_1R1.xyz ├── BH9_08_1R2.xyz ├── BH9_08_1TS.xyz ├── BH9_08_2P1.xyz ├── BH9_08_2P2.xyz ├── BH9_08_2R1.xyz ├── BH9_08_2R2.xyz ├── BH9_08_2TS.xyz ├── BH9_08_3P1.xyz ├── BH9_08_3P2.xyz ├── BH9_08_3R1.xyz ├── BH9_08_3R2.xyz ├── BH9_08_3TS.xyz ├── BH9_08_4P.xyz ├── BH9_08_4R1.xyz ├── BH9_08_4R2.xyz ├── BH9_08_4TS.xyz ├── BH9_08_5P1.xyz ├── BH9_08_5P2.xyz ├── BH9_08_5R1.xyz ├── BH9_08_5R2.xyz ├── BH9_08_5TS.xyz ├── BH9_08_6P1.xyz ├── BH9_08_6P2.xyz ├── BH9_08_6R1.xyz ├── BH9_08_6R2.xyz ├── BH9_08_6TS.xyz ├── BH9_08_7P1.xyz ├── BH9_08_7P2.xyz ├── BH9_08_7R1.xyz ├── BH9_08_7R2.xyz ├── BH9_08_7TS.xyz ├── BH9_08_8P1.xyz ├── BH9_08_8P2.xyz ├── BH9_08_8R1.xyz ├── BH9_08_8R2.xyz ├── BH9_08_8TS.xyz ├── BH9_08_9P1.xyz ├── BH9_08_9P2.xyz ├── BH9_08_9R1.xyz ├── BH9_08_9R2.xyz ├── BH9_08_9TS.xyz ├── BH9_09_10P.xyz ├── BH9_09_10R.xyz ├── BH9_09_10TS.xyz ├── BH9_09_11P.xyz ├── BH9_09_11R1.xyz ├── BH9_09_11R2.xyz ├── BH9_09_11TS.xyz ├── BH9_09_12P.xyz ├── BH9_09_12R1.xyz ├── BH9_09_12R2.xyz ├── BH9_09_12TS.xyz ├── BH9_09_13P.xyz ├── BH9_09_13R1.xyz ├── BH9_09_13R2.xyz ├── BH9_09_13TS.xyz ├── BH9_09_14P.xyz ├── BH9_09_14R1.xyz ├── BH9_09_14R2.xyz ├── BH9_09_14TS.xyz ├── BH9_09_15P.xyz ├── BH9_09_15R1.xyz ├── BH9_09_15R2.xyz ├── BH9_09_15TS.xyz ├── BH9_09_16P.xyz ├── BH9_09_16R1.xyz ├── BH9_09_16R2.xyz ├── BH9_09_16TS.xyz ├── BH9_09_17P.xyz ├── BH9_09_17R1.xyz ├── BH9_09_17R2.xyz ├── BH9_09_17TS.xyz ├── BH9_09_18P.xyz ├── BH9_09_18R1.xyz ├── BH9_09_18R2.xyz ├── BH9_09_18TS.xyz ├── BH9_09_19P.xyz ├── BH9_09_19R.xyz ├── BH9_09_19TS.xyz ├── BH9_09_1P.xyz ├── BH9_09_1R1.xyz ├── BH9_09_1R2.xyz ├── BH9_09_1TS.xyz ├── BH9_09_20P.xyz ├── BH9_09_20R.xyz ├── BH9_09_20TS.xyz ├── BH9_09_21P.xyz ├── BH9_09_21R1.xyz ├── BH9_09_21R2.xyz ├── BH9_09_21TS.xyz ├── BH9_09_22P.xyz ├── BH9_09_22R.xyz ├── BH9_09_22TS.xyz ├── BH9_09_23P.xyz ├── BH9_09_23R.xyz ├── BH9_09_23TS.xyz ├── BH9_09_24P.xyz ├── BH9_09_24R.xyz ├── BH9_09_24TS.xyz ├── BH9_09_25P.xyz ├── BH9_09_25R.xyz ├── BH9_09_25TS.xyz ├── BH9_09_26P.xyz ├── BH9_09_26R1.xyz ├── BH9_09_26R2.xyz ├── BH9_09_26TS.xyz ├── BH9_09_2P.xyz ├── BH9_09_2R1.xyz ├── BH9_09_2R2.xyz ├── BH9_09_2TS.xyz ├── BH9_09_3P.xyz ├── BH9_09_3R1.xyz ├── BH9_09_3R2.xyz ├── BH9_09_3TS.xyz ├── BH9_09_4P.xyz ├── BH9_09_4R1.xyz ├── BH9_09_4R2.xyz ├── BH9_09_4TS.xyz ├── BH9_09_5P.xyz ├── BH9_09_5R1.xyz ├── BH9_09_5R2.xyz ├── BH9_09_5TS.xyz ├── BH9_09_6P.xyz ├── BH9_09_6R1.xyz ├── BH9_09_6R2.xyz ├── BH9_09_6TS.xyz ├── BH9_09_7P.xyz ├── BH9_09_7R1.xyz ├── BH9_09_7R2.xyz ├── BH9_09_7TS.xyz ├── BH9_09_8P.xyz ├── BH9_09_8R1.xyz ├── BH9_09_8R2.xyz ├── BH9_09_8TS.xyz ├── BH9_09_9P.xyz ├── BH9_09_9R1.xyz ├── BH9_09_9R2.xyz ├── BH9_09_9TS.xyz ├── BHDIV10_ed1.xyz ├── BHDIV10_ed10.xyz ├── BHDIV10_ed3.xyz ├── BHDIV10_ed4.xyz ├── BHDIV10_ed5.xyz ├── BHDIV10_ed6.xyz ├── BHDIV10_ed7.xyz ├── BHDIV10_ts1.xyz ├── BHDIV10_ts10.xyz ├── BHDIV10_ts3.xyz ├── BHDIV10_ts4.xyz ├── BHDIV10_ts5.xyz ├── BHDIV10_ts6.xyz ├── BHDIV10_ts7.xyz ├── BHPERI_00r.xyz ├── BHPERI_02r.xyz ├── BHPERI_02ts.xyz ├── BHPERI_03r.xyz ├── BHPERI_03ts.xyz ├── BHPERI_04r.xyz ├── BHPERI_04ts.xyz ├── BHPERI_05r.xyz ├── BHPERI_06ts.xyz ├── BHPERI_07r.xyz ├── BHPERI_07ts.xyz ├── BHPERI_08ts.xyz ├── BHPERI_09r.xyz ├── BHPERI_09ts.xyz ├── BHPERI_1-3-Cyclopentadiene.xyz ├── BHPERI_Cis-triscyclopropacyclohexane.xyz ├── BHPERI_Ethylene.xyz ├── BHPERI_TS11.xyz ├── BHPERI_TS3.xyz ├── BHPERI_TS8.xyz ├── BHPERI_TS9.xyz ├── BHPERI_ortho-xylylene.xyz ├── BHROT27_acetamide_RC.xyz ├── BHROT27_acetamide_TS1.xyz ├── BHROT27_acetamide_TS2.xyz ├── BHROT27_bifuran_TS.xyz ├── BHROT27_bifuran_anti.xyz ├── BHROT27_bifuran_syn.xyz ├── BHROT27_biphenyl.xyz ├── BHROT27_biphenyl_TS.xyz ├── BHROT27_bithiophene_TS.xyz ├── BHROT27_bithiophene_anti.xyz ├── BHROT27_bithiophene_syn.xyz ├── BHROT27_butadiene_TS.xyz ├── BHROT27_butadiene_scis.xyz ├── BHROT27_butadiene_strans.xyz ├── BHROT27_ethane_ecl.xyz ├── BHROT27_ethane_st.xyz ├── BHROT27_ethylthiourea_0.xyz ├── BHROT27_ethylthiourea_180.xyz ├── BHROT27_ethylthiourea_TS1.xyz ├── BHROT27_ethylthiourea_TS2.xyz ├── BHROT27_h2o2.xyz ├── BHROT27_h2o2_cis.xyz ├── BHROT27_h2o2_trans.xyz ├── BHROT27_h2s2.xyz ├── BHROT27_h2s2_cis.xyz ├── BHROT27_h2s2_trans.xyz ├── BHROT27_methanol_ecl.xyz ├── BHROT27_methanol_st.xyz ├── BHROT27_methylamine_ecl.xyz ├── BHROT27_methylamine_st.xyz ├── BHROT27_n2h4_ecl1.xyz ├── BHROT27_n2h4_ecl2.xyz ├── BHROT27_n2h4_st1.xyz ├── BHROT27_nh2oh_ecl.xyz ├── BHROT27_nh2oh_st1.xyz ├── BHROT27_nh2oh_st2.xyz ├── BHROT27_tmethane_0.xyz ├── BHROT27_tmethane_120.xyz ├── BHROT27_tmethane_180.xyz ├── BHROT27_tmethane_60.xyz ├── BSR36_c1.xyz ├── BSR36_c2.xyz ├── BSR36_c2h6.xyz ├── BSR36_c3.xyz ├── BSR36_c4.xyz ├── BSR36_c5.xyz ├── BSR36_ch4.xyz ├── BSR36_h1.xyz ├── BSR36_h10.xyz ├── BSR36_h11.xyz ├── BSR36_h12.xyz ├── BSR36_h13.xyz ├── BSR36_h14.xyz ├── BSR36_h15.xyz ├── BSR36_h2.xyz ├── BSR36_h3.xyz ├── BSR36_h4.xyz ├── BSR36_h5.xyz ├── BSR36_h6.xyz ├── BSR36_h7.xyz ├── BSR36_h8.xyz ├── BSR36_h9.xyz ├── BSR36_r1.xyz ├── BSR36_r10.xyz ├── BSR36_r11.xyz ├── BSR36_r12.xyz ├── BSR36_r13.xyz ├── BSR36_r14.xyz ├── BSR36_r15.xyz ├── BSR36_r16.xyz ├── BSR36_r2.xyz ├── BSR36_r3.xyz ├── BSR36_r4.xyz ├── BSR36_r5.xyz ├── BSR36_r6.xyz ├── BSR36_r7.xyz ├── BSR36_r8.xyz ├── BSR36_r9.xyz ├── BUT14DIOL_B1.xyz ├── BUT14DIOL_B10.xyz ├── BUT14DIOL_B11.xyz ├── BUT14DIOL_B12.xyz ├── BUT14DIOL_B13.xyz ├── BUT14DIOL_B14.xyz ├── BUT14DIOL_B15.xyz ├── BUT14DIOL_B16.xyz ├── BUT14DIOL_B17.xyz ├── BUT14DIOL_B18.xyz ├── BUT14DIOL_B19.xyz ├── BUT14DIOL_B2.xyz ├── BUT14DIOL_B20.xyz ├── BUT14DIOL_B21.xyz ├── BUT14DIOL_B22.xyz ├── BUT14DIOL_B23.xyz ├── BUT14DIOL_B24.xyz ├── BUT14DIOL_B25.xyz ├── BUT14DIOL_B26.xyz ├── BUT14DIOL_B27.xyz ├── BUT14DIOL_B28.xyz ├── BUT14DIOL_B29.xyz ├── BUT14DIOL_B3.xyz ├── BUT14DIOL_B30.xyz ├── BUT14DIOL_B31.xyz ├── BUT14DIOL_B32.xyz ├── BUT14DIOL_B33.xyz ├── BUT14DIOL_B34.xyz ├── BUT14DIOL_B35.xyz ├── BUT14DIOL_B36.xyz ├── BUT14DIOL_B37.xyz ├── BUT14DIOL_B38.xyz ├── BUT14DIOL_B39.xyz ├── BUT14DIOL_B4.xyz ├── BUT14DIOL_B40.xyz ├── BUT14DIOL_B41.xyz ├── BUT14DIOL_B42.xyz ├── BUT14DIOL_B43.xyz ├── BUT14DIOL_B44.xyz ├── BUT14DIOL_B45.xyz ├── BUT14DIOL_B46.xyz ├── BUT14DIOL_B47.xyz ├── BUT14DIOL_B48.xyz ├── BUT14DIOL_B49.xyz ├── BUT14DIOL_B5.xyz ├── BUT14DIOL_B50.xyz ├── BUT14DIOL_B51.xyz ├── BUT14DIOL_B52.xyz ├── BUT14DIOL_B53.xyz ├── BUT14DIOL_B54.xyz ├── BUT14DIOL_B55.xyz ├── BUT14DIOL_B56.xyz ├── BUT14DIOL_B57.xyz ├── BUT14DIOL_B58.xyz ├── BUT14DIOL_B59.xyz ├── BUT14DIOL_B6.xyz ├── BUT14DIOL_B60.xyz ├── BUT14DIOL_B61.xyz ├── BUT14DIOL_B62.xyz ├── BUT14DIOL_B63.xyz ├── BUT14DIOL_B64.xyz ├── BUT14DIOL_B65.xyz ├── BUT14DIOL_B7.xyz ├── BUT14DIOL_B8.xyz ├── BUT14DIOL_B9.xyz ├── C60ISO_1.xyz ├── C60ISO_10.xyz ├── C60ISO_2.xyz ├── C60ISO_3.xyz ├── C60ISO_4.xyz ├── C60ISO_5.xyz ├── C60ISO_6.xyz ├── C60ISO_7.xyz ├── C60ISO_8.xyz ├── C60ISO_9.xyz ├── CARBHB12_1CL.xyz ├── CARBHB12_1CL_A.xyz ├── CARBHB12_1CL_B.xyz ├── CARBHB12_1N.xyz ├── CARBHB12_1N_A.xyz ├── CARBHB12_1N_B.xyz ├── CARBHB12_1O.xyz ├── CARBHB12_1O_A.xyz ├── CARBHB12_1O_B.xyz ├── CARBHB12_2CL.xyz ├── CARBHB12_2CL_A.xyz ├── CARBHB12_2CL_B.xyz ├── CARBHB12_2N.xyz ├── CARBHB12_2N_A.xyz ├── CARBHB12_2N_B.xyz ├── CARBHB12_2O.xyz ├── CARBHB12_2O_A.xyz ├── CARBHB12_2O_B.xyz ├── CARBHB12_3CL.xyz ├── CARBHB12_3CL_A.xyz ├── CARBHB12_3CL_B.xyz ├── CARBHB12_3N.xyz ├── CARBHB12_3N_A.xyz ├── CARBHB12_3N_B.xyz ├── CARBHB12_3O.xyz ├── CARBHB12_3O_A.xyz ├── CARBHB12_3O_B.xyz ├── CARBHB12_4CL.xyz ├── CARBHB12_4CL_A.xyz ├── CARBHB12_4CL_B.xyz ├── CARBHB12_4N.xyz ├── CARBHB12_4N_A.xyz ├── CARBHB12_4N_B.xyz ├── CARBHB12_4O.xyz ├── CARBHB12_4O_A.xyz ├── CARBHB12_4O_B.xyz ├── CHB6_22.xyz ├── CHB6_22A.xyz ├── CHB6_22B.xyz ├── CHB6_23.xyz ├── CHB6_23A.xyz ├── CHB6_23B.xyz ├── CHB6_24.xyz ├── CHB6_24A.xyz ├── CHB6_24B.xyz ├── CHB6_25.xyz ├── CHB6_25A.xyz ├── CHB6_25B.xyz ├── CHB6_26.xyz ├── CHB6_26A.xyz ├── CHB6_26B.xyz ├── CHB6_27.xyz ├── CHB6_27A.xyz ├── CHB6_27B.xyz ├── CUAGAU2_A001_H.xyz ├── CUAGAU2_A003_O.xyz ├── CUAGAU2_A004_NH3.xyz ├── CUAGAU2_A005_CO.xyz ├── CUAGAU2_M001_Cu.xyz ├── CUAGAU2_M002_Ag.xyz ├── CUAGAU2_M003_Au.xyz ├── CUAGAU2_M013_CuO.xyz ├── CUAGAU2_M014_AgO.xyz ├── CUAGAU2_M015_AuO.xyz ├── CUAGAU2_M022_Cu5-i0.xyz ├── CUAGAU2_M023_Ag5-i0.xyz ├── CUAGAU2_M024_Au5-i0.xyz ├── CUAGAU2_M025_Cu6-i0.xyz ├── CUAGAU2_M026_Ag6-i0.xyz ├── CUAGAU2_M027_Au6-i0.xyz ├── CUAGAU2_M031_Cu4-c2.xyz ├── CUAGAU2_M032_Ag4-c2.xyz ├── CUAGAU2_M033_Au4-c2.xyz ├── CUAGAU2_M034_Cu5-c1-i0.xyz ├── CUAGAU2_M035_Ag5-c1-i0.xyz ├── CUAGAU2_M036_Au5-c1-i0.xyz ├── CUAGAU2_M037_Cu5-c2-i0.xyz ├── CUAGAU2_M038_Ag5-c2-i0.xyz ├── CUAGAU2_M039_Au5-c2-i0.xyz ├── CUAGAU2_M040_Cu6-c1-i0.xyz ├── CUAGAU2_M041_Ag6-c1-i0.xyz ├── CUAGAU2_M042_Au6-c1-i0.xyz ├── CUAGAU2_M043_Cu6-c2-i0.xyz ├── CUAGAU2_M044_Ag6-c2-i0.xyz ├── CUAGAU2_M045_Ag6-c2-i0.xyz ├── CUAGAU2_M049_Cu5-i1.xyz ├── CUAGAU2_M050_Ag5-i1.xyz ├── CUAGAU2_M051_Au5-i1.xyz ├── CUAGAU2_M052_Cu6-i1.xyz ├── CUAGAU2_M053_Ag6-i1.xyz ├── CUAGAU2_M054_Au6-i1.xyz ├── CUAGAU2_M058_Cu5-c1-i1.xyz ├── CUAGAU2_M059_Ag5-c1-i1.xyz ├── CUAGAU2_M060_Au5-c1-i1.xyz ├── CUAGAU2_M061_Cu6-c1-i1.xyz ├── CUAGAU2_M062_Ag6-c1-i1.xyz ├── CUAGAU2_M063_Au6-c1-i1.xyz ├── CUAGAU2_M064_Cu5-c2-i1.xyz ├── CUAGAU2_M065_Ag5-c2-i1.xyz ├── CUAGAU2_M066_Au5-c2-i1.xyz ├── CUAGAU2_M067_Cu6-c2-i1.xyz ├── CUAGAU2_M068_Ag6-c2-i1.xyz ├── CUAGAU2_M069_Au6-c2-i1.xyz ├── CUAGAU2_M079_Cu4-c2-O-i0.xyz ├── CUAGAU2_M080_Ag4-c2-O-i0.xyz ├── CUAGAU2_M081_Au4-c2-O-i0.xyz ├── CUAGAU2_M082_Cu4-c2-O-i1.xyz ├── CUAGAU2_M083_Ag4-c2-O-i1.xyz ├── CUAGAU2_M084_Au4-c2-O-i1.xyz ├── CUAGAU2_M085_Cu4-c2-O-i2.xyz ├── CUAGAU2_M086_Ag4-c2-O-i2.xyz ├── CUAGAU2_M087_Au4-c2-O-i2.xyz ├── CUAGAU2_M094_Cu4-c2-CO-i0.xyz ├── CUAGAU2_M095_Ag4-c2-CO-i0.xyz ├── CUAGAU2_M096_Au4-c2-CO-i0.xyz ├── CUAGAU2_M097_Cu4-c2-CO-i1.xyz ├── CUAGAU2_M098_Ag4-c2-CO-i1.xyz ├── CUAGAU2_M099_Au4-c2-CO-i1.xyz ├── CUAGAU2_M100_Cu4-c2-CO-i2.xyz ├── CUAGAU2_M101_Ag4-c2-CO-i2.xyz ├── CUAGAU2_M102_Au4-c2-CO-i2.xyz ├── CUAGAU2_M103_Cu5-c2-H.xyz ├── CUAGAU2_M104_Ag5-c2-H.xyz ├── CUAGAU2_M105_Au5-c2-H.xyz ├── CUAGAU2_M106_Cu6-c2-H.xyz ├── CUAGAU2_M107_Ag6-c2-H.xyz ├── CUAGAU2_M108_Au6-c2-H.xyz ├── CUAGAU2_M109_Cu5-c2-O.xyz ├── CUAGAU2_M110_Ag5-c2-O.xyz ├── CUAGAU2_M111_Au5-c2-O.xyz ├── CUAGAU2_M112_Cu6-c2-O.xyz ├── CUAGAU2_M113_Ag6-c2-O.xyz ├── CUAGAU2_M114_Au6-c2-O.xyz ├── CUAGAU2_M115_Cu5-c2-NH3.xyz ├── CUAGAU2_M116_Ag5-c2-NH3.xyz ├── CUAGAU2_M117_Au5-c2-NH3.xyz ├── CUAGAU2_M118_Cu6-c2-NH3.xyz ├── CUAGAU2_M119_Ag6-c2-NH3.xyz ├── CUAGAU2_M120_Au6-c2-NH3.xyz ├── CUAGAU2_M121_Cu5-c2-CO.xyz ├── CUAGAU2_M122_Ag5-c2-CO.xyz ├── CUAGAU2_M123_Au5-c2-CO.xyz ├── CUAGAU2_M124_Cu6-c2-CO.xyz ├── CUAGAU2_M125_Ag6-c2-CO.xyz ├── CUAGAU2_M126_Au6-c2-CO.xyz ├── CUAGAU_Ag01N0.xyz ├── CUAGAU_Ag01N0_F.xyz ├── CUAGAU_Ag01N0_H.xyz ├── CUAGAU_Ag02N0.xyz ├── CUAGAU_Ag03C1_D3H.xyz ├── CUAGAU_Ag03C1_LIN.xyz ├── CUAGAU_Ag03N0_D3H.xyz ├── CUAGAU_Ag03N0_LIN.xyz ├── CUAGAU_Ag04C2.xyz ├── CUAGAU_Ag04C2_H_A.xyz ├── CUAGAU_Ag04C2_H_E.xyz ├── CUAGAU_Ag04C2_H_F.xyz ├── CUAGAU_Ag04C2_NH3_A.xyz ├── CUAGAU_Ag04C2_NH3_F.xyz ├── CUAGAU_Ag04N0.xyz ├── CUAGAU_Au01N0.xyz ├── CUAGAU_Au01N0_F.xyz ├── CUAGAU_Au01N0_H.xyz ├── CUAGAU_Au02N0.xyz ├── CUAGAU_Au03C1_D3H.xyz ├── CUAGAU_Au03C1_LIN.xyz ├── CUAGAU_Au03N0_D3H.xyz ├── CUAGAU_Au03N0_LIN.xyz ├── CUAGAU_Au04C2.xyz ├── CUAGAU_Au04C2_H_A.xyz ├── CUAGAU_Au04C2_H_E.xyz ├── CUAGAU_Au04C2_H_F.xyz ├── CUAGAU_Au04C2_NH3_A.xyz ├── CUAGAU_Au04C2_NH3_F.xyz ├── CUAGAU_Au04N0.xyz ├── CUAGAU_Cu01N0.xyz ├── CUAGAU_Cu01N0_F.xyz ├── CUAGAU_Cu01N0_H.xyz ├── CUAGAU_Cu02N0.xyz ├── CUAGAU_Cu03C1_D3H.xyz ├── CUAGAU_Cu03C1_LIN.xyz ├── CUAGAU_Cu03N0_D3H.xyz ├── CUAGAU_Cu03N0_LIN.xyz ├── CUAGAU_Cu04C2.xyz ├── CUAGAU_Cu04C2_H_A.xyz ├── CUAGAU_Cu04C2_H_E.xyz ├── CUAGAU_Cu04C2_H_F.xyz ├── CUAGAU_Cu04C2_NH3_A.xyz ├── CUAGAU_Cu04C2_NH3_F.xyz ├── CUAGAU_Cu04N0.xyz ├── CUAGAU_F.xyz ├── CUAGAU_H.xyz ├── CUAGAU_NH3.xyz ├── DAPD_Al.xyz ├── DAPD_B.xyz ├── DAPD_C.xyz ├── DAPD_Cl.xyz ├── DAPD_F.xyz ├── DAPD_H.xyz ├── DAPD_N.xyz ├── DAPD_O.xyz ├── DAPD_P.xyz ├── DAPD_Pd.xyz ├── DAPD_Pd2.xyz ├── DAPD_PdAl.xyz ├── DAPD_PdB.xyz ├── DAPD_PdC.xyz ├── DAPD_PdCl.xyz ├── DAPD_PdF.xyz ├── DAPD_PdH.xyz ├── DAPD_PdN.xyz ├── DAPD_PdO.xyz ├── DAPD_PdP.xyz ├── DAPD_PdS.xyz ├── DAPD_PdSi.xyz ├── DAPD_S.xyz ├── DAPD_Si.xyz ├── DARC_P1.xyz ├── DARC_P10.xyz ├── DARC_P10X.xyz ├── DARC_P2.xyz ├── DARC_P3.xyz ├── DARC_P4.xyz ├── DARC_P5.xyz ├── DARC_P6.xyz ├── DARC_P7.xyz ├── DARC_P7X.xyz ├── DARC_P8.xyz ├── DARC_P8X.xyz ├── DARC_P9.xyz ├── DARC_P9X.xyz ├── DARC_butadiene.xyz ├── DARC_chdiene.xyz ├── DARC_cpdiene.xyz ├── DARC_ethene.xyz ├── DARC_ethine.xyz ├── DARC_furane.xyz ├── DARC_malein.xyz ├── DARC_maleinNH.xyz ├── DC13_13dip.xyz ├── DC13_C6Cl6.xyz ├── DC13_C6H6.xyz ├── DC13_CL2.xyz ├── DC13_HCL.xyz ├── DC13_ISO_C8H8_1.xyz ├── DC13_ISO_C8H8_41.xyz ├── DC13_ISO_E35.xyz ├── DC13_ISO_E36.xyz ├── DC13_ISO_P35.xyz ├── DC13_ISO_P36.xyz ├── DC13_be.xyz ├── DC13_be4.xyz ├── DC13_c20bowl.xyz ├── DC13_c20cage.xyz ├── DC13_c2h2.xyz ├── DC13_c2h4.xyz ├── DC13_carbooxo1.xyz ├── DC13_carbooxo2.xyz ├── DC13_ch2n2.xyz ├── DC13_ethen.xyz ├── DC13_heptahexaene.xyz ├── DC13_heptatriyne.xyz ├── DC13_o3.xyz ├── DC13_o3_c2h2_add.xyz ├── DC13_o3_c2h4_add.xyz ├── DC13_omcb.xyz ├── DC13_s2.xyz ├── DC13_s8.xyz ├── DC13_tmethen.xyz ├── DIPCS10_be.xyz ├── DIPCS10_be_2+.xyz ├── DIPCS10_c2h4.xyz ├── DIPCS10_c2h4_2+.xyz ├── DIPCS10_c2h6.xyz ├── DIPCS10_c2h6_2+.xyz ├── DIPCS10_c4h4.xyz ├── DIPCS10_c4h4_2+.xyz ├── DIPCS10_ch2o.xyz ├── DIPCS10_ch2o_2+.xyz ├── DIPCS10_h2s.xyz ├── DIPCS10_h2s_2+.xyz ├── DIPCS10_mg.xyz ├── DIPCS10_mg_2+.xyz ├── DIPCS10_n2h2.xyz ├── DIPCS10_n2h2_2+.xyz ├── DIPCS10_nh3.xyz ├── DIPCS10_nh3_2+.xyz ├── DIPCS10_ph3.xyz ├── DIPCS10_ph3_2+.xyz ├── Dip146_AlF2+.xyz ├── Dip146_AlF2-.xyz ├── Dip146_AlH22+.xyz ├── Dip146_AlH22-.xyz ├── Dip146_BF2+.xyz ├── Dip146_BF2-.xyz ├── Dip146_BH2+.xyz ├── Dip146_BH2-.xyz ├── Dip146_BH22+.xyz ├── Dip146_BH22-.xyz ├── Dip146_BH2Cl2+.xyz ├── Dip146_BH2Cl2-.xyz ├── Dip146_BH2F2+.xyz ├── Dip146_BH2F2-.xyz ├── Dip146_BHCl22+.xyz ├── Dip146_BHCl22-.xyz ├── Dip146_BHF22+.xyz ├── Dip146_BHF22-.xyz ├── Dip146_BN2+.xyz ├── Dip146_BN2-.xyz ├── Dip146_BO2+.xyz ├── Dip146_BO2-.xyz ├── Dip146_BS2+.xyz ├── Dip146_BS2-.xyz ├── Dip146_BeH2+.xyz ├── Dip146_BeH2-.xyz ├── Dip146_C2H2+.xyz ├── Dip146_C2H2-.xyz ├── Dip146_C2H30+.xyz ├── Dip146_C2H30-.xyz ├── Dip146_C2H31+.xyz ├── Dip146_C2H31-.xyz ├── Dip146_C2H50+.xyz ├── Dip146_C2H50-.xyz ├── Dip146_C2H51+.xyz ├── Dip146_C2H51-.xyz ├── Dip146_CF2+.xyz ├── Dip146_CF2-.xyz ├── Dip146_CF22+.xyz ├── Dip146_CF22-.xyz ├── Dip146_CH2+.xyz ├── Dip146_CH2-.xyz ├── Dip146_CH2BH2+.xyz ├── Dip146_CH2BH2-.xyz ├── Dip146_CH2BOH0+.xyz ├── Dip146_CH2BOH0-.xyz ├── Dip146_CH2BOH2+.xyz ├── Dip146_CH2BOH2-.xyz ├── Dip146_CH2F0+.xyz ├── Dip146_CH2F0-.xyz ├── Dip146_CH2F1+.xyz ├── Dip146_CH2F1-.xyz ├── Dip146_CH2NH0+.xyz ├── Dip146_CH2NH0-.xyz ├── Dip146_CH2NH2+.xyz ├── Dip146_CH2NH2-.xyz ├── Dip146_CH2PH0+.xyz ├── Dip146_CH2PH0-.xyz ├── Dip146_CH2PH2+.xyz ├── Dip146_CH2PH2-.xyz ├── Dip146_CH3BH21+.xyz ├── Dip146_CH3BH21-.xyz ├── Dip146_CH3BO2+.xyz ├── Dip146_CH3BO2-.xyz ├── Dip146_CH3Cl2+.xyz ├── Dip146_CH3Cl2-.xyz ├── Dip146_CH3F2+.xyz ├── Dip146_CH3F2-.xyz ├── Dip146_CH3Li2+.xyz ├── Dip146_CH3Li2-.xyz ├── Dip146_CH3NH20+.xyz ├── Dip146_CH3NH20-.xyz ├── Dip146_CH3NH21+.xyz ├── Dip146_CH3NH21-.xyz ├── Dip146_CH3O2+.xyz ├── Dip146_CH3O2-.xyz ├── Dip146_CH3OH0+.xyz ├── Dip146_CH3OH0-.xyz ├── Dip146_CH3OH1+.xyz ├── Dip146_CH3OH1-.xyz ├── Dip146_CH3SH0+.xyz ├── Dip146_CH3SH0-.xyz ├── Dip146_CH3SH1+.xyz ├── Dip146_CH3SH1-.xyz ├── Dip146_CH3SH2+.xyz ├── Dip146_CH3SH2-.xyz ├── Dip146_CN2+.xyz ├── Dip146_CN2-.xyz ├── Dip146_CS2+.xyz ├── Dip146_CS2-.xyz ├── Dip146_CSO2+.xyz ├── Dip146_CSO2-.xyz ├── Dip146_ClCN2+.xyz ├── Dip146_ClCN2-.xyz ├── Dip146_ClF2+.xyz ├── Dip146_ClF2-.xyz ├── Dip146_ClO22+.xyz ├── Dip146_ClO22-.xyz ├── Dip146_FCN2+.xyz ├── Dip146_FCN2-.xyz ├── Dip146_FCO0+.xyz ├── Dip146_FCO0-.xyz ├── Dip146_FCO1+.xyz ├── Dip146_FCO1-.xyz ├── Dip146_FH-BH22+.xyz ├── Dip146_FH-BH22-.xyz ├── Dip146_FH-NH22+.xyz ├── Dip146_FH-NH22-.xyz ├── Dip146_FH-OH0+.xyz ├── Dip146_FH-OH0-.xyz ├── Dip146_FH-OH2+.xyz ├── Dip146_FH-OH2-.xyz ├── Dip146_FNO0+.xyz ├── Dip146_FNO0-.xyz ├── Dip146_FNO1+.xyz ├── Dip146_FNO1-.xyz ├── Dip146_H2CN2+.xyz ├── Dip146_H2CN2-.xyz ├── Dip146_H2O-Al0+.xyz ├── Dip146_H2O-Al0-.xyz ├── Dip146_H2O-Al1+.xyz ├── Dip146_H2O-Al1-.xyz ├── Dip146_H2O-Al2+.xyz ├── Dip146_H2O-Al2-.xyz ├── Dip146_H2O-Cl0+.xyz ├── Dip146_H2O-Cl0-.xyz ├── Dip146_H2O-Cl1+.xyz ├── Dip146_H2O-Cl1-.xyz ├── Dip146_H2O-Cl2+.xyz ├── Dip146_H2O-Cl2-.xyz ├── Dip146_H2O-F0+.xyz ├── Dip146_H2O-F0-.xyz ├── Dip146_H2O-F1+.xyz ├── Dip146_H2O-F1-.xyz ├── Dip146_H2O-F2+.xyz ├── Dip146_H2O-F2-.xyz ├── Dip146_H2O-H2O0+.xyz ├── Dip146_H2O-H2O0-.xyz ├── Dip146_H2O-H2O2+.xyz ├── Dip146_H2O-H2O2-.xyz ├── Dip146_H2O-Li1+.xyz ├── Dip146_H2O-Li1-.xyz ├── Dip146_H2O-Li2+.xyz ├── Dip146_H2O-Li2-.xyz ├── Dip146_H2O-NH30+.xyz ├── Dip146_H2O-NH30-.xyz ├── Dip146_H2O-NH31+.xyz ├── Dip146_H2O-NH31-.xyz ├── Dip146_H2O2+.xyz ├── Dip146_H2O2-.xyz ├── Dip146_H2S-H2S0+.xyz ├── Dip146_H2S-H2S0-.xyz ├── Dip146_H2S-H2S1+.xyz ├── Dip146_H2S-H2S1-.xyz ├── Dip146_H2S-HCl0+.xyz ├── Dip146_H2S-HCl0-.xyz ├── Dip146_H2S-HCl2+.xyz ├── Dip146_H2S-HCl2-.xyz ├── Dip146_HBH2BH2+.xyz ├── Dip146_HBH2BH2-.xyz ├── Dip146_HBO2+.xyz ├── Dip146_HBO2-.xyz ├── Dip146_HBS2+.xyz ├── Dip146_HBS2-.xyz ├── Dip146_HCCCl2+.xyz ├── Dip146_HCCCl2-.xyz ├── Dip146_HCCF2+.xyz ├── Dip146_HCCF2-.xyz ├── Dip146_HCHO2+.xyz ├── Dip146_HCHO2-.xyz ├── Dip146_HCHS2+.xyz ├── Dip146_HCHS2-.xyz ├── Dip146_HCN2+.xyz ├── Dip146_HCN2-.xyz ├── Dip146_HCNO0+.xyz ├── Dip146_HCNO0-.xyz ├── Dip146_HCNO1+.xyz ├── Dip146_HCNO1-.xyz ├── Dip146_HCO0+.xyz ├── Dip146_HCO0-.xyz ├── Dip146_HCO1+.xyz ├── Dip146_HCO1-.xyz ├── Dip146_HCOF0+.xyz ├── Dip146_HCOF0-.xyz ├── Dip146_HCOF1+.xyz ├── Dip146_HCOF1-.xyz ├── Dip146_HCONH20+.xyz ├── Dip146_HCONH20-.xyz ├── Dip146_HCONH21+.xyz ├── Dip146_HCONH21-.xyz ├── Dip146_HCOOH0+.xyz ├── Dip146_HCOOH0-.xyz ├── Dip146_HCP2+.xyz ├── Dip146_HCP2-.xyz ├── Dip146_HCl-HCl0+.xyz ├── Dip146_HCl-HCl0-.xyz ├── Dip146_HCl-HCl1+.xyz ├── Dip146_HCl-HCl1-.xyz ├── Dip146_HCl2+.xyz ├── Dip146_HCl2-.xyz ├── Dip146_HF-HF0+.xyz ├── Dip146_HF-HF0-.xyz ├── Dip146_HF-HF1+.xyz ├── Dip146_HF-HF1-.xyz ├── Dip146_HF2+.xyz ├── Dip146_HF2-.xyz ├── Dip146_HN30+.xyz ├── Dip146_HN30-.xyz ├── Dip146_HN31+.xyz ├── Dip146_HN31-.xyz ├── Dip146_HNC2+.xyz ├── Dip146_HNC2-.xyz ├── Dip146_HNCO0+.xyz ├── Dip146_HNCO0-.xyz ├── Dip146_HNCO1+.xyz ├── Dip146_HNCO1-.xyz ├── Dip146_HNO0+.xyz ├── Dip146_HNO0-.xyz ├── Dip146_HNO2+.xyz ├── Dip146_HNO2-.xyz ├── Dip146_HNO20+.xyz ├── Dip146_HNO20-.xyz ├── Dip146_HNO21+.xyz ├── Dip146_HNO21-.xyz ├── Dip146_HNS1+.xyz ├── Dip146_HNS1-.xyz ├── Dip146_HO20+.xyz ├── Dip146_HO20-.xyz ├── Dip146_HO21+.xyz ├── Dip146_HO21-.xyz ├── Dip146_HOCN0+.xyz ├── Dip146_HOCN0-.xyz ├── Dip146_HOCN1+.xyz ├── Dip146_HOCN1-.xyz ├── Dip146_HOCl0+.xyz ├── Dip146_HOCl0-.xyz ├── Dip146_HOCl2+.xyz ├── Dip146_HOCl2-.xyz ├── Dip146_HOF0+.xyz ├── Dip146_HOF0-.xyz ├── Dip146_HOF2+.xyz ├── Dip146_HOF2-.xyz ├── Dip146_HOOH2+.xyz ├── Dip146_HOOH2-.xyz ├── Dip146_HPO0+.xyz ├── Dip146_HPO0-.xyz ├── Dip146_HPO1+.xyz ├── Dip146_HPO1-.xyz ├── Dip146_LiBH42+.xyz ├── Dip146_LiBH42-.xyz ├── Dip146_LiCN0+.xyz ├── Dip146_LiCN0-.xyz ├── Dip146_LiCN1+.xyz ├── Dip146_LiCN1-.xyz ├── Dip146_LiCl2+.xyz ├── Dip146_LiCl2-.xyz ├── Dip146_LiF2+.xyz ├── Dip146_LiF2-.xyz ├── Dip146_LiH2+.xyz ├── Dip146_LiH2-.xyz ├── Dip146_LiN2+.xyz ├── Dip146_LiN2-.xyz ├── Dip146_LiOH2+.xyz ├── Dip146_LiOH2-.xyz ├── Dip146_N2H22+.xyz ├── Dip146_N2H22-.xyz ├── Dip146_N2H42+.xyz ├── Dip146_N2H42-.xyz ├── Dip146_NCO2+.xyz ├── Dip146_NCO2-.xyz ├── Dip146_NCl2+.xyz ├── Dip146_NCl2-.xyz ├── Dip146_NF22+.xyz ├── Dip146_NF22-.xyz ├── Dip146_NH2+.xyz ├── Dip146_NH2-.xyz ├── Dip146_NH22+.xyz ├── Dip146_NH22-.xyz ├── Dip146_NH2Cl0+.xyz ├── Dip146_NH2Cl0-.xyz ├── Dip146_NH2Cl1+.xyz ├── Dip146_NH2Cl1-.xyz ├── Dip146_NH2F0+.xyz ├── Dip146_NH2F0-.xyz ├── Dip146_NH2F1+.xyz ├── Dip146_NH2F1-.xyz ├── Dip146_NH2OH1+.xyz ├── Dip146_NH2OH1-.xyz ├── Dip146_NH3-BH32+.xyz ├── Dip146_NH3-BH32-.xyz ├── Dip146_NH3-NH30+.xyz ├── Dip146_NH3-NH30-.xyz ├── Dip146_NH3-NH32+.xyz ├── Dip146_NH3-NH32-.xyz ├── Dip146_NH32+.xyz ├── Dip146_NH32-.xyz ├── Dip146_NH3O2+.xyz ├── Dip146_NH3O2-.xyz ├── Dip146_NO2+.xyz ├── Dip146_NO2-.xyz ├── Dip146_NO22+.xyz ├── Dip146_NO22-.xyz ├── Dip146_NOCl0+.xyz ├── Dip146_NOCl0-.xyz ├── Dip146_NOCl1+.xyz ├── Dip146_NOCl1-.xyz ├── Dip146_NP2+.xyz ├── Dip146_NP2-.xyz ├── Dip146_NS2+.xyz ├── Dip146_NS2-.xyz ├── Dip146_NaCN0+.xyz ├── Dip146_NaCN0-.xyz ├── Dip146_NaCN1+.xyz ├── Dip146_NaCN1-.xyz ├── Dip146_NaCl2+.xyz ├── Dip146_NaCl2-.xyz ├── Dip146_NaF2+.xyz ├── Dip146_NaF2-.xyz ├── Dip146_NaH2+.xyz ├── Dip146_NaH2-.xyz ├── Dip146_NaLi2+.xyz ├── Dip146_NaLi2-.xyz ├── Dip146_NaOH2+.xyz ├── Dip146_NaOH2-.xyz ├── Dip146_O32+.xyz ├── Dip146_O32-.xyz ├── Dip146_OCl2+.xyz ├── Dip146_OCl2-.xyz ├── Dip146_OCl22+.xyz ├── Dip146_OCl22-.xyz ├── Dip146_OF22+.xyz ├── Dip146_OF22-.xyz ├── Dip146_OH2+.xyz ├── Dip146_OH2-.xyz ├── Dip146_P2H42+.xyz ├── Dip146_P2H42-.xyz ├── Dip146_PCl2+.xyz ├── Dip146_PCl2-.xyz ├── Dip146_PF2+.xyz ├── Dip146_PF2-.xyz ├── Dip146_PH2+.xyz ├── Dip146_PH2-.xyz ├── Dip146_PH22+.xyz ├── Dip146_PH22-.xyz ├── Dip146_PH2OH0+.xyz ├── Dip146_PH2OH0-.xyz ├── Dip146_PH32+.xyz ├── Dip146_PH32-.xyz ├── Dip146_PH3O2+.xyz ├── Dip146_PH3O2-.xyz ├── Dip146_PO2+.xyz ├── Dip146_PO2-.xyz ├── Dip146_PO22+.xyz ├── Dip146_PO22-.xyz ├── Dip146_PPO2+.xyz ├── Dip146_PPO2-.xyz ├── Dip146_PS2+.xyz ├── Dip146_PS2-.xyz ├── Dip146_S2H22+.xyz ├── Dip146_S2H22-.xyz ├── Dip146_SCl22+.xyz ├── Dip146_SCl22-.xyz ├── Dip146_SF2+.xyz ├── Dip146_SF2-.xyz ├── Dip146_SF22+.xyz ├── Dip146_SF22-.xyz ├── Dip146_SH2+.xyz ├── Dip146_SH2-.xyz ├── Dip146_SH22+.xyz ├── Dip146_SH22-.xyz ├── Dip146_SO-trip2+.xyz ├── Dip146_SO-trip2-.xyz ├── Dip146_SO22+.xyz ├── Dip146_SO22-.xyz ├── Dip146_SiH3Cl2+.xyz ├── Dip146_SiH3Cl2-.xyz ├── Dip146_SiH3F2+.xyz ├── Dip146_SiH3F2-.xyz ├── Dip146_SiO2+.xyz ├── Dip146_SiO2-.xyz ├── EA50_Al.xyz ├── EA50_Al2.xyz ├── EA50_Al2_n.xyz ├── EA50_AlO.xyz ├── EA50_AlO2.xyz ├── EA50_AlO2_n.xyz ├── EA50_AlO_n.xyz ├── EA50_Al_n.xyz ├── EA50_As.xyz ├── EA50_As_n.xyz ├── EA50_B.xyz ├── EA50_BH3.xyz ├── EA50_BH3_n.xyz ├── EA50_BO.xyz ├── EA50_BO2.xyz ├── EA50_BO2_n.xyz ├── EA50_BO_n.xyz ├── EA50_B_n.xyz ├── EA50_BeH.xyz ├── EA50_BeH_n.xyz ├── EA50_Br.xyz ├── EA50_Br_n.xyz ├── EA50_C2H.xyz ├── EA50_C2H2.xyz ├── EA50_C2H2_n.xyz ├── EA50_C2H_n.xyz ├── EA50_C2O.xyz ├── EA50_C2O_n.xyz ├── EA50_C3.xyz ├── EA50_C3H3.xyz ├── EA50_C3H3_n.xyz ├── EA50_C3_n.xyz ├── EA50_CH.xyz ├── EA50_CH2CHO.xyz ├── EA50_CH2CHO_n.xyz ├── EA50_CH3.xyz ├── EA50_CH3C2.xyz ├── EA50_CH3C2_n.xyz ├── EA50_CH3O.xyz ├── EA50_CH3O_n.xyz ├── EA50_CH3_n.xyz ├── EA50_CH_n.xyz ├── EA50_CN.xyz ├── EA50_CN_n.xyz ├── EA50_Cl.xyz ├── EA50_ClO.xyz ├── EA50_ClO_n.xyz ├── EA50_Cl_n.xyz ├── EA50_FO.xyz ├── EA50_FO_n.xyz ├── EA50_Ga.xyz ├── EA50_Ga_n.xyz ├── EA50_Ge.xyz ├── EA50_Ge_n.xyz ├── EA50_HCNN.xyz ├── EA50_HCNN_n.xyz ├── EA50_HNO.xyz ├── EA50_HNO_n.xyz ├── EA50_Li.xyz ├── EA50_LiH.xyz ├── EA50_LiH_n.xyz ├── EA50_Li_n.xyz ├── EA50_NCH2.xyz ├── EA50_NCH2_n.xyz ├── EA50_NCO.xyz ├── EA50_NCO_n.xyz ├── EA50_NH2.xyz ├── EA50_NH2_n.xyz ├── EA50_Na.xyz ├── EA50_Na_n.xyz ├── EA50_O3.xyz ├── EA50_O3_n.xyz ├── EA50_OH.xyz ├── EA50_OH_n.xyz ├── EA50_P2.xyz ├── EA50_P2_n.xyz ├── EA50_PH.xyz ├── EA50_PH2.xyz ├── EA50_PH2_n.xyz ├── EA50_PH_n.xyz ├── EA50_PO2.xyz ├── EA50_PO2_n.xyz ├── EA50_S2.xyz ├── EA50_S2_n.xyz ├── EA50_SF.xyz ├── EA50_SF_n.xyz ├── EA50_SH.xyz ├── EA50_SH_n.xyz ├── EA50_SO.xyz ├── EA50_SO_n.xyz ├── EA50_Se.xyz ├── EA50_Se_n.xyz ├── EA50_SiF.xyz ├── EA50_SiF2.xyz ├── EA50_SiF2_n.xyz ├── EA50_SiF_n.xyz ├── EA50_SiH.xyz ├── EA50_SiH2.xyz ├── EA50_SiH2_n.xyz ├── EA50_SiH_n.xyz ├── FH51_1-hexene.xyz ├── FH51_1-pentene.xyz ├── FH51_1-pentyne.xyz ├── FH51_2-pentyne.xyz ├── FH51_3-hexene.xyz ├── FH51_3-methylpentane.xyz ├── FH51_C2H4OH_2.xyz ├── FH51_C2H5CCNCHCH3.xyz ├── FH51_C2H5CClCHCH3.xyz ├── FH51_C2H5CO2CH3.xyz ├── FH51_C2H5CO2H.xyz ├── FH51_C2H5CONH2.xyz ├── FH51_C2H5O_2.xyz ├── FH51_C3H7CHCO.xyz ├── FH51_C3H7CN.xyz ├── FH51_C3H7CO2C2H3.xyz ├── FH51_C3H7CO2H.xyz ├── FH51_C3H7CONH2.xyz ├── FH51_C3H7NCO.xyz ├── FH51_C3H7NH2.xyz ├── FH51_C3H7SH.xyz ├── FH51_C3H7S_2.xyz ├── FH51_C4H9CHO.xyz ├── FH51_C4H9CO2H.xyz ├── FH51_C4H9NCO.xyz ├── FH51_C4H9NH2.xyz ├── FH51_C4H9NHCONH2.xyz ├── FH51_C4H9NO2.xyz ├── FH51_C4H9ONO.xyz ├── FH51_C4H9SO2H.xyz ├── FH51_C4H9SO3H.xyz ├── FH51_C6H12O.xyz ├── FH51_CO.xyz ├── FH51_CO2.xyz ├── FH51_COCl2.xyz ├── FH51_CO_2NHC3H7_2.xyz ├── FH51_Cl2.xyz ├── FH51_H2.xyz ├── FH51_H2C-C5-CH2.xyz ├── FH51_H2CO.xyz ├── FH51_H2O.xyz ├── FH51_H2O2.xyz ├── FH51_H2S.xyz ├── FH51_HCN.xyz ├── FH51_HCO2C5H11.xyz ├── FH51_HCON_C2H5_2.xyz ├── FH51_HCl.xyz ├── FH51_Heptene.xyz ├── FH51_NH3.xyz ├── FH51_OS_C2H5_2.xyz ├── FH51_S_C2H5_2.xyz ├── FH51_ax-methylcyclohexene.xyz ├── FH51_butanediol.xyz ├── FH51_cis-2-pentene.xyz ├── FH51_diethylamine.xyz ├── FH51_diethyloxirane.xyz ├── FH51_dimethylbutane.xyz ├── FH51_dimethyloxirane.xyz ├── FH51_dimethylpyrrole.xyz ├── FH51_eq-methylcyclohexene.xyz ├── FH51_ethene.xyz ├── FH51_ethyl-g-butyrolactone.xyz ├── FH51_heptatriyne.xyz ├── FH51_hexandione.xyz ├── FH51_hexyne.xyz ├── FH51_methanol.xyz ├── FH51_methyl-d-valerolactone.xyz ├── FH51_methylcyclohexa-1-3-diene.xyz ├── FH51_methylcyclohexa-1-4-diene.xyz ├── FH51_methylcyclohexane.xyz ├── FH51_methylfuran.xyz ├── FH51_methylimidazole.xyz ├── FH51_methylpyrazole.xyz ├── FH51_methylpyridine.xyz ├── FH51_methylpyrrole.xyz ├── FH51_n-hexane.xyz ├── FH51_n-nonane.xyz ├── FH51_neo-hexane.xyz ├── FH51_pentadiene.xyz ├── FH51_pentanediol.xyz ├── FH51_pentanol.xyz ├── FH51_propylfuran.xyz ├── FH51_propyloxirane.xyz ├── FH51_propylthiophene.xyz ├── FH51_tetramethylpentane.xyz ├── FH51_toluene.xyz ├── FH51_trans-2-pentene.xyz ├── G21EA_EA_10.xyz ├── G21EA_EA_10n.xyz ├── G21EA_EA_11.xyz ├── G21EA_EA_11n.xyz ├── G21EA_EA_12.xyz ├── G21EA_EA_12n.xyz ├── G21EA_EA_13.xyz ├── G21EA_EA_13n.xyz ├── G21EA_EA_14.xyz ├── G21EA_EA_14n.xyz ├── G21EA_EA_15.xyz ├── G21EA_EA_15n.xyz ├── G21EA_EA_16.xyz ├── G21EA_EA_16n.xyz ├── G21EA_EA_17.xyz ├── G21EA_EA_17n.xyz ├── G21EA_EA_18.xyz ├── G21EA_EA_18n.xyz ├── G21EA_EA_19.xyz ├── G21EA_EA_19n.xyz ├── G21EA_EA_20.xyz ├── G21EA_EA_20n.xyz ├── G21EA_EA_21.xyz ├── G21EA_EA_21n.xyz ├── G21EA_EA_22.xyz ├── G21EA_EA_22n.xyz ├── G21EA_EA_23.xyz ├── G21EA_EA_23n.xyz ├── G21EA_EA_24.xyz ├── G21EA_EA_24n.xyz ├── G21EA_EA_25.xyz ├── G21EA_EA_25n.xyz ├── G21EA_EA_8.xyz ├── G21EA_EA_8n.xyz ├── G21EA_EA_9.xyz ├── G21EA_EA_9n.xyz ├── G21EA_EA_c-.xyz ├── G21EA_EA_c.xyz ├── G21EA_EA_cl-.xyz ├── G21EA_EA_cl.xyz ├── G21EA_EA_f-.xyz ├── G21EA_EA_f.xyz ├── G21EA_EA_o-.xyz ├── G21EA_EA_o.xyz ├── G21EA_EA_p-.xyz ├── G21EA_EA_p.xyz ├── G21EA_EA_s-.xyz ├── G21EA_EA_s.xyz ├── G21EA_EA_si-.xyz ├── G21EA_EA_si.xyz ├── G21IP_11.xyz ├── G21IP_12.xyz ├── G21IP_13.xyz ├── G21IP_137.xyz ├── G21IP_14.xyz ├── G21IP_18.xyz ├── G21IP_19.xyz ├── G21IP_20.xyz ├── G21IP_22.xyz ├── G21IP_25.xyz ├── G21IP_26.xyz ├── G21IP_30.xyz ├── G21IP_34.xyz ├── G21IP_37.xyz ├── G21IP_43.xyz ├── G21IP_44.xyz ├── G21IP_45.xyz ├── G21IP_48.xyz ├── G21IP_51.xyz ├── G21IP_8.xyz ├── G21IP_IP_59.xyz ├── G21IP_IP_60.xyz ├── G21IP_IP_61.xyz ├── G21IP_IP_62.xyz ├── G21IP_IP_63.xyz ├── G21IP_IP_64.xyz ├── G21IP_IP_65.xyz ├── G21IP_IP_66.xyz ├── G21IP_IP_67.xyz ├── G21IP_IP_68.xyz ├── G21IP_IP_70.xyz ├── G21IP_IP_71.xyz ├── G21IP_IP_72.xyz ├── G21IP_IP_73.xyz ├── G21IP_IP_74.xyz ├── G21IP_IP_75.xyz ├── G21IP_IP_76.xyz ├── G21IP_IP_77.xyz ├── G21IP_IP_78.xyz ├── G21IP_IP_79.xyz ├── G21IP_IP_80.xyz ├── G21IP_IP_n65.xyz ├── G21IP_al+.xyz ├── G21IP_al.xyz ├── G21IP_b+.xyz ├── G21IP_b.xyz ├── G21IP_be+.xyz ├── G21IP_be.xyz ├── G21IP_c+.xyz ├── G21IP_c.xyz ├── G21IP_cl+.xyz ├── G21IP_cl.xyz ├── G21IP_f+.xyz ├── G21IP_f.xyz ├── G21IP_h.xyz ├── G21IP_li+.xyz ├── G21IP_li.xyz ├── G21IP_mg+.xyz ├── G21IP_mg.xyz ├── G21IP_n+.xyz ├── G21IP_n.xyz ├── G21IP_na+.xyz ├── G21IP_na.xyz ├── G21IP_o+.xyz ├── G21IP_o.xyz ├── G21IP_p+.xyz ├── G21IP_p.xyz ├── G21IP_s+.xyz ├── G21IP_s.xyz ├── G21IP_si+.xyz ├── G21IP_si.xyz ├── G2RC_1.xyz ├── G2RC_100.xyz ├── G2RC_104.xyz ├── G2RC_106.xyz ├── G2RC_11.xyz ├── G2RC_113.xyz ├── G2RC_117.xyz ├── G2RC_118.xyz ├── G2RC_121.xyz ├── G2RC_126.xyz ├── G2RC_128.xyz ├── G2RC_13.xyz ├── G2RC_14.xyz ├── G2RC_18.xyz ├── G2RC_21.xyz ├── G2RC_22.xyz ├── G2RC_23.xyz ├── G2RC_24.xyz ├── G2RC_25.xyz ├── G2RC_26.xyz ├── G2RC_30.xyz ├── G2RC_32.xyz ├── G2RC_33.xyz ├── G2RC_34.xyz ├── G2RC_39.xyz ├── G2RC_40.xyz ├── G2RC_45.xyz ├── G2RC_47.xyz ├── G2RC_51.xyz ├── G2RC_52.xyz ├── G2RC_56.xyz ├── G2RC_57.xyz ├── G2RC_58.xyz ├── G2RC_59.xyz ├── G2RC_6.xyz ├── G2RC_60.xyz ├── G2RC_61.xyz ├── G2RC_62.xyz ├── G2RC_66.xyz ├── G2RC_67.xyz ├── G2RC_68.xyz ├── G2RC_73.xyz ├── G2RC_8.xyz ├── G2RC_82.xyz ├── G2RC_88.xyz ├── G2RC_94.xyz ├── G2RC_97.xyz ├── HB375x10_1.001_OH-O__aceticacid--acetaldehyde_100.xyz ├── HB375x10_1.001_OH-O__aceticacid--acetaldehyde_monA.xyz ├── HB375x10_1.001_OH-O__aceticacid--acetaldehyde_monB.xyz ├── HB375x10_1.002_OH-O__aceticacid--acetamide_100.xyz ├── HB375x10_1.002_OH-O__aceticacid--acetamide_monA.xyz ├── HB375x10_1.002_OH-O__aceticacid--acetamide_monB.xyz ├── HB375x10_1.003_OH-O__aceticacid--acetone_100.xyz ├── HB375x10_1.003_OH-O__aceticacid--acetone_monA.xyz ├── HB375x10_1.003_OH-O__aceticacid--acetone_monB.xyz ├── HB375x10_1.004_OH-O__aceticacid--dimethylcarbonate_100.xyz ├── HB375x10_1.004_OH-O__aceticacid--dimethylcarbonate_monA.xyz ├── HB375x10_1.004_OH-O__aceticacid--dimethylcarbonate_monB.xyz ├── HB375x10_1.005_OH-O__aceticacid--dimethylether_100.xyz ├── HB375x10_1.005_OH-O__aceticacid--dimethylether_monA.xyz ├── HB375x10_1.005_OH-O__aceticacid--dimethylether_monB.xyz ├── HB375x10_1.006_OH-O__aceticacid--dimethylperoxide_100.xyz ├── HB375x10_1.006_OH-O__aceticacid--dimethylperoxide_monA.xyz ├── HB375x10_1.006_OH-O__aceticacid--dimethylperoxide_monB.xyz ├── HB375x10_1.007_OH-O__aceticacid--furan_100.xyz ├── HB375x10_1.007_OH-O__aceticacid--furan_monA.xyz ├── HB375x10_1.007_OH-O__aceticacid--furan_monB.xyz ├── HB375x10_1.008_OH-O__aceticacid--methanol_100.xyz ├── HB375x10_1.008_OH-O__aceticacid--methanol_monA.xyz ├── HB375x10_1.008_OH-O__aceticacid--methanol_monB.xyz ├── HB375x10_1.009_OH-O__aceticacid--methylacetate_100.xyz ├── HB375x10_1.009_OH-O__aceticacid--methylacetate_monA.xyz ├── HB375x10_1.009_OH-O__aceticacid--methylacetate_monB.xyz ├── HB375x10_1.010_OH-O__aceticacid--methylcyanate_100.xyz ├── HB375x10_1.010_OH-O__aceticacid--methylcyanate_monA.xyz ├── HB375x10_1.010_OH-O__aceticacid--methylcyanate_monB.xyz ├── HB375x10_1.011_OH-O__aceticacid--nitromethane_100.xyz ├── HB375x10_1.011_OH-O__aceticacid--nitromethane_monA.xyz ├── HB375x10_1.011_OH-O__aceticacid--nitromethane_monB.xyz ├── HB375x10_1.012_OH-O__aceticacid--nitrosomethane_100.xyz ├── HB375x10_1.012_OH-O__aceticacid--nitrosomethane_monA.xyz ├── HB375x10_1.012_OH-O__aceticacid--nitrosomethane_monB.xyz ├── HB375x10_1.013_OH-O__aceticacid--Nmethylacetamide_100.xyz ├── HB375x10_1.013_OH-O__aceticacid--Nmethylacetamide_monA.xyz ├── HB375x10_1.013_OH-O__aceticacid--Nmethylacetamide_monB.xyz ├── HB375x10_1.014_OH-O__aceticacid--water_100.xyz ├── HB375x10_1.014_OH-O__aceticacid--water_monA.xyz ├── HB375x10_1.014_OH-O__aceticacid--water_monB.xyz ├── HB375x10_1.015_OH-O__methanol--acetaldehyde_100.xyz ├── HB375x10_1.015_OH-O__methanol--acetaldehyde_monA.xyz ├── HB375x10_1.015_OH-O__methanol--acetaldehyde_monB.xyz ├── HB375x10_1.016_OH-O__methanol--acetamide_100.xyz ├── HB375x10_1.016_OH-O__methanol--acetamide_monA.xyz ├── HB375x10_1.016_OH-O__methanol--acetamide_monB.xyz ├── HB375x10_1.017_OH-O__methanol--aceticacid_100.xyz ├── HB375x10_1.017_OH-O__methanol--aceticacid_monA.xyz ├── HB375x10_1.017_OH-O__methanol--aceticacid_monB.xyz ├── HB375x10_1.018_OH-O__methanol--acetone_100.xyz ├── HB375x10_1.018_OH-O__methanol--acetone_monA.xyz ├── HB375x10_1.018_OH-O__methanol--acetone_monB.xyz ├── HB375x10_1.019_OH-O__methanol--dimethylcarbonate_100.xyz ├── HB375x10_1.019_OH-O__methanol--dimethylcarbonate_monA.xyz ├── HB375x10_1.019_OH-O__methanol--dimethylcarbonate_monB.xyz ├── HB375x10_1.020_OH-O__methanol--dimethylether_100.xyz ├── HB375x10_1.020_OH-O__methanol--dimethylether_monA.xyz ├── HB375x10_1.020_OH-O__methanol--dimethylether_monB.xyz ├── HB375x10_1.021_OH-O__methanol--dimethylperoxide_100.xyz ├── HB375x10_1.021_OH-O__methanol--dimethylperoxide_monA.xyz ├── HB375x10_1.021_OH-O__methanol--dimethylperoxide_monB.xyz ├── HB375x10_1.022_OH-O__methanol--furan_100.xyz ├── HB375x10_1.022_OH-O__methanol--furan_monA.xyz ├── HB375x10_1.022_OH-O__methanol--furan_monB.xyz ├── HB375x10_1.023_OH-O__methanol--methanol_100.xyz ├── HB375x10_1.023_OH-O__methanol--methanol_monA.xyz ├── HB375x10_1.023_OH-O__methanol--methanol_monB.xyz ├── HB375x10_1.024_OH-O__methanol--methylacetate_100.xyz ├── HB375x10_1.024_OH-O__methanol--methylacetate_monA.xyz ├── HB375x10_1.024_OH-O__methanol--methylacetate_monB.xyz ├── HB375x10_1.025_OH-O__methanol--nitromethane_100.xyz ├── HB375x10_1.025_OH-O__methanol--nitromethane_monA.xyz ├── HB375x10_1.025_OH-O__methanol--nitromethane_monB.xyz ├── HB375x10_1.026_OH-O__methanol--nitrosomethane_100.xyz ├── HB375x10_1.026_OH-O__methanol--nitrosomethane_monA.xyz ├── HB375x10_1.026_OH-O__methanol--nitrosomethane_monB.xyz ├── HB375x10_1.027_OH-O__methanol--Nmethylacetamide_100.xyz ├── HB375x10_1.027_OH-O__methanol--Nmethylacetamide_monA.xyz ├── HB375x10_1.027_OH-O__methanol--Nmethylacetamide_monB.xyz ├── HB375x10_1.028_OH-O__methanol--phenol_100.xyz ├── HB375x10_1.028_OH-O__methanol--phenol_monA.xyz ├── HB375x10_1.028_OH-O__methanol--phenol_monB.xyz ├── HB375x10_1.029_OH-O__methanol--water_100.xyz ├── HB375x10_1.029_OH-O__methanol--water_monA.xyz ├── HB375x10_1.029_OH-O__methanol--water_monB.xyz ├── HB375x10_1.030_OH-O__phenol--acetaldehyde_100.xyz ├── HB375x10_1.030_OH-O__phenol--acetaldehyde_monA.xyz ├── HB375x10_1.030_OH-O__phenol--acetaldehyde_monB.xyz ├── HB375x10_1.031_OH-O__phenol--acetamide_100.xyz ├── HB375x10_1.031_OH-O__phenol--acetamide_monA.xyz ├── HB375x10_1.031_OH-O__phenol--acetamide_monB.xyz ├── HB375x10_1.032_OH-O__phenol--acetone_100.xyz ├── HB375x10_1.032_OH-O__phenol--acetone_monA.xyz ├── HB375x10_1.032_OH-O__phenol--acetone_monB.xyz ├── HB375x10_1.033_OH-O__phenol--dimethylcarbonate_100.xyz ├── HB375x10_1.033_OH-O__phenol--dimethylcarbonate_monA.xyz ├── HB375x10_1.033_OH-O__phenol--dimethylcarbonate_monB.xyz ├── HB375x10_1.034_OH-O__phenol--dimethylether_100.xyz ├── HB375x10_1.034_OH-O__phenol--dimethylether_monA.xyz ├── HB375x10_1.034_OH-O__phenol--dimethylether_monB.xyz ├── HB375x10_1.035_OH-O__phenol--dimethylperoxide_100.xyz ├── HB375x10_1.035_OH-O__phenol--dimethylperoxide_monA.xyz ├── HB375x10_1.035_OH-O__phenol--dimethylperoxide_monB.xyz ├── HB375x10_1.036_OH-O__phenol--furan_100.xyz ├── HB375x10_1.036_OH-O__phenol--furan_monA.xyz ├── HB375x10_1.036_OH-O__phenol--furan_monB.xyz ├── HB375x10_1.037_OH-O__phenol--methanol_100.xyz ├── HB375x10_1.037_OH-O__phenol--methanol_monA.xyz ├── HB375x10_1.037_OH-O__phenol--methanol_monB.xyz ├── HB375x10_1.038_OH-O__phenol--methylacetate_100.xyz ├── HB375x10_1.038_OH-O__phenol--methylacetate_monA.xyz ├── HB375x10_1.038_OH-O__phenol--methylacetate_monB.xyz ├── HB375x10_1.039_OH-O__phenol--nitromethane_100.xyz ├── HB375x10_1.039_OH-O__phenol--nitromethane_monA.xyz ├── HB375x10_1.039_OH-O__phenol--nitromethane_monB.xyz ├── HB375x10_1.040_OH-O__phenol--nitrosomethane_100.xyz ├── HB375x10_1.040_OH-O__phenol--nitrosomethane_monA.xyz ├── HB375x10_1.040_OH-O__phenol--nitrosomethane_monB.xyz ├── HB375x10_1.041_OH-O__phenol--Nmethylacetamide_100.xyz ├── HB375x10_1.041_OH-O__phenol--Nmethylacetamide_monA.xyz ├── HB375x10_1.041_OH-O__phenol--Nmethylacetamide_monB.xyz ├── HB375x10_1.042_OH-O__phenol--phenol_100.xyz ├── HB375x10_1.042_OH-O__phenol--phenol_monA.xyz ├── HB375x10_1.042_OH-O__phenol--phenol_monB.xyz ├── HB375x10_1.043_OH-O__phenol--water_100.xyz ├── HB375x10_1.043_OH-O__phenol--water_monA.xyz ├── HB375x10_1.043_OH-O__phenol--water_monB.xyz ├── HB375x10_1.044_OH-O__water--acetaldehyde_100.xyz ├── HB375x10_1.044_OH-O__water--acetaldehyde_monA.xyz ├── HB375x10_1.044_OH-O__water--acetaldehyde_monB.xyz ├── HB375x10_1.045_OH-O__water--acetamide_100.xyz ├── HB375x10_1.045_OH-O__water--acetamide_monA.xyz ├── HB375x10_1.045_OH-O__water--acetamide_monB.xyz ├── HB375x10_1.046_OH-O__water--aceticacid_100.xyz ├── HB375x10_1.046_OH-O__water--aceticacid_monA.xyz ├── HB375x10_1.046_OH-O__water--aceticacid_monB.xyz ├── HB375x10_1.047_OH-O__water--acetone_100.xyz ├── HB375x10_1.047_OH-O__water--acetone_monA.xyz ├── HB375x10_1.047_OH-O__water--acetone_monB.xyz ├── HB375x10_1.048_OH-O__water--dimethylcarbonate_100.xyz ├── HB375x10_1.048_OH-O__water--dimethylcarbonate_monA.xyz ├── HB375x10_1.048_OH-O__water--dimethylcarbonate_monB.xyz ├── HB375x10_1.049_OH-O__water--dimethylether_100.xyz ├── HB375x10_1.049_OH-O__water--dimethylether_monA.xyz ├── HB375x10_1.049_OH-O__water--dimethylether_monB.xyz ├── HB375x10_1.050_OH-O__water--dimethylperoxide_100.xyz ├── HB375x10_1.050_OH-O__water--dimethylperoxide_monA.xyz ├── HB375x10_1.050_OH-O__water--dimethylperoxide_monB.xyz ├── HB375x10_1.051_OH-O__water--furan_100.xyz ├── HB375x10_1.051_OH-O__water--furan_monA.xyz ├── HB375x10_1.051_OH-O__water--furan_monB.xyz ├── HB375x10_1.052_OH-O__water--methanol_100.xyz ├── HB375x10_1.052_OH-O__water--methanol_monA.xyz ├── HB375x10_1.052_OH-O__water--methanol_monB.xyz ├── HB375x10_1.053_OH-O__water--methylacetate_100.xyz ├── HB375x10_1.053_OH-O__water--methylacetate_monA.xyz ├── HB375x10_1.053_OH-O__water--methylacetate_monB.xyz ├── HB375x10_1.054_OH-O__water--nitromethane_100.xyz ├── HB375x10_1.054_OH-O__water--nitromethane_monA.xyz ├── HB375x10_1.054_OH-O__water--nitromethane_monB.xyz ├── HB375x10_1.055_OH-O__water--nitrosomethane_100.xyz ├── HB375x10_1.055_OH-O__water--nitrosomethane_monA.xyz ├── HB375x10_1.055_OH-O__water--nitrosomethane_monB.xyz ├── HB375x10_1.056_OH-O__water--Nmethylacetamide_100.xyz ├── HB375x10_1.056_OH-O__water--Nmethylacetamide_monA.xyz ├── HB375x10_1.056_OH-O__water--Nmethylacetamide_monB.xyz ├── HB375x10_1.057_OH-O__water--phenol_100.xyz ├── HB375x10_1.057_OH-O__water--phenol_monA.xyz ├── HB375x10_1.057_OH-O__water--phenol_monB.xyz ├── HB375x10_1.058_OH-O__water--water_100.xyz ├── HB375x10_1.058_OH-O__water--water_monA.xyz ├── HB375x10_1.058_OH-O__water--water_monB.xyz ├── HB375x10_1.059_OH-Ox2__aceticacid--aceticacid_100.xyz ├── HB375x10_1.059_OH-Ox2__aceticacid--aceticacid_monA.xyz ├── HB375x10_1.059_OH-Ox2__aceticacid--aceticacid_monB.xyz ├── HB375x10_1.060_OH-Ox2__phenol--aceticacid_100.xyz ├── HB375x10_1.060_OH-Ox2__phenol--aceticacid_monA.xyz ├── HB375x10_1.060_OH-Ox2__phenol--aceticacid_monB.xyz ├── HB375x10_2.001_NH-O__1Hpyrrole--acetaldehyde_100.xyz ├── HB375x10_2.001_NH-O__1Hpyrrole--acetaldehyde_monA.xyz ├── HB375x10_2.001_NH-O__1Hpyrrole--acetaldehyde_monB.xyz ├── HB375x10_2.002_NH-O__1Hpyrrole--acetamide_100.xyz ├── HB375x10_2.002_NH-O__1Hpyrrole--acetamide_monA.xyz ├── HB375x10_2.002_NH-O__1Hpyrrole--acetamide_monB.xyz ├── HB375x10_2.003_NH-O__1Hpyrrole--aceticacid_100.xyz ├── HB375x10_2.003_NH-O__1Hpyrrole--aceticacid_monA.xyz ├── HB375x10_2.003_NH-O__1Hpyrrole--aceticacid_monB.xyz ├── HB375x10_2.004_NH-O__1Hpyrrole--acetone_100.xyz ├── HB375x10_2.004_NH-O__1Hpyrrole--acetone_monA.xyz ├── HB375x10_2.004_NH-O__1Hpyrrole--acetone_monB.xyz ├── HB375x10_2.005_NH-O__1Hpyrrole--dimethylcarbonate_100.xyz ├── HB375x10_2.005_NH-O__1Hpyrrole--dimethylcarbonate_monA.xyz ├── HB375x10_2.005_NH-O__1Hpyrrole--dimethylcarbonate_monB.xyz ├── HB375x10_2.006_NH-O__1Hpyrrole--dimethylether_100.xyz ├── HB375x10_2.006_NH-O__1Hpyrrole--dimethylether_monA.xyz ├── HB375x10_2.006_NH-O__1Hpyrrole--dimethylether_monB.xyz ├── HB375x10_2.007_NH-O__1Hpyrrole--dimethylperoxide_100.xyz ├── HB375x10_2.007_NH-O__1Hpyrrole--dimethylperoxide_monA.xyz ├── HB375x10_2.007_NH-O__1Hpyrrole--dimethylperoxide_monB.xyz ├── HB375x10_2.008_NH-O__1Hpyrrole--methanol_100.xyz ├── HB375x10_2.008_NH-O__1Hpyrrole--methanol_monA.xyz ├── HB375x10_2.008_NH-O__1Hpyrrole--methanol_monB.xyz ├── HB375x10_2.009_NH-O__1Hpyrrole--methylacetate_100.xyz ├── HB375x10_2.009_NH-O__1Hpyrrole--methylacetate_monA.xyz ├── HB375x10_2.009_NH-O__1Hpyrrole--methylacetate_monB.xyz ├── HB375x10_2.010_NH-O__1Hpyrrole--nitromethane_100.xyz ├── HB375x10_2.010_NH-O__1Hpyrrole--nitromethane_monA.xyz ├── HB375x10_2.010_NH-O__1Hpyrrole--nitromethane_monB.xyz ├── HB375x10_2.011_NH-O__1Hpyrrole--Nmethylacetamide_100.xyz ├── HB375x10_2.011_NH-O__1Hpyrrole--Nmethylacetamide_monA.xyz ├── HB375x10_2.011_NH-O__1Hpyrrole--Nmethylacetamide_monB.xyz ├── HB375x10_2.012_NH-O__1Hpyrrole--phenol_100.xyz ├── HB375x10_2.012_NH-O__1Hpyrrole--phenol_monA.xyz ├── HB375x10_2.012_NH-O__1Hpyrrole--phenol_monB.xyz ├── HB375x10_2.013_NH-O__1Hpyrrole--water_100.xyz ├── HB375x10_2.013_NH-O__1Hpyrrole--water_monA.xyz ├── HB375x10_2.013_NH-O__1Hpyrrole--water_monB.xyz ├── HB375x10_2.014_NH-O__ammonia--acetaldehyde_100.xyz ├── HB375x10_2.014_NH-O__ammonia--acetaldehyde_monA.xyz ├── HB375x10_2.014_NH-O__ammonia--acetaldehyde_monB.xyz ├── HB375x10_2.015_NH-O__ammonia--acetamide_100.xyz ├── HB375x10_2.015_NH-O__ammonia--acetamide_monA.xyz ├── HB375x10_2.015_NH-O__ammonia--acetamide_monB.xyz ├── HB375x10_2.016_NH-O__ammonia--aceticacid_100.xyz ├── HB375x10_2.016_NH-O__ammonia--aceticacid_monA.xyz ├── HB375x10_2.016_NH-O__ammonia--aceticacid_monB.xyz ├── HB375x10_2.017_NH-O__ammonia--acetone_100.xyz ├── HB375x10_2.017_NH-O__ammonia--acetone_monA.xyz ├── HB375x10_2.017_NH-O__ammonia--acetone_monB.xyz ├── HB375x10_2.018_NH-O__ammonia--dimethylcarbonate_100.xyz ├── HB375x10_2.018_NH-O__ammonia--dimethylcarbonate_monA.xyz ├── HB375x10_2.018_NH-O__ammonia--dimethylcarbonate_monB.xyz ├── HB375x10_2.019_NH-O__ammonia--dimethylether_100.xyz ├── HB375x10_2.019_NH-O__ammonia--dimethylether_monA.xyz ├── HB375x10_2.019_NH-O__ammonia--dimethylether_monB.xyz ├── HB375x10_2.020_NH-O__ammonia--dimethylperoxide_100.xyz ├── HB375x10_2.020_NH-O__ammonia--dimethylperoxide_monA.xyz ├── HB375x10_2.020_NH-O__ammonia--dimethylperoxide_monB.xyz ├── HB375x10_2.021_NH-O__ammonia--furan_100.xyz ├── HB375x10_2.021_NH-O__ammonia--furan_monA.xyz ├── HB375x10_2.021_NH-O__ammonia--furan_monB.xyz ├── HB375x10_2.022_NH-O__ammonia--methylacetate_100.xyz ├── HB375x10_2.022_NH-O__ammonia--methylacetate_monA.xyz ├── HB375x10_2.022_NH-O__ammonia--methylacetate_monB.xyz ├── HB375x10_2.023_NH-O__ammonia--nitrosomethane_100.xyz ├── HB375x10_2.023_NH-O__ammonia--nitrosomethane_monA.xyz ├── HB375x10_2.023_NH-O__ammonia--nitrosomethane_monB.xyz ├── HB375x10_2.024_NH-O__ammonia--Nmethylacetamide_100.xyz ├── HB375x10_2.024_NH-O__ammonia--Nmethylacetamide_monA.xyz ├── HB375x10_2.024_NH-O__ammonia--Nmethylacetamide_monB.xyz ├── HB375x10_2.025_NH-O__ammonia--phenol_100.xyz ├── HB375x10_2.025_NH-O__ammonia--phenol_monA.xyz ├── HB375x10_2.025_NH-O__ammonia--phenol_monB.xyz ├── HB375x10_2.026_NH-O__aniline--acetaldehyde_100.xyz ├── HB375x10_2.026_NH-O__aniline--acetaldehyde_monA.xyz ├── HB375x10_2.026_NH-O__aniline--acetaldehyde_monB.xyz ├── HB375x10_2.027_NH-O__aniline--acetamide_100.xyz ├── HB375x10_2.027_NH-O__aniline--acetamide_monA.xyz ├── HB375x10_2.027_NH-O__aniline--acetamide_monB.xyz ├── HB375x10_2.028_NH-O__aniline--aceticacid_100.xyz ├── HB375x10_2.028_NH-O__aniline--aceticacid_monA.xyz ├── HB375x10_2.028_NH-O__aniline--aceticacid_monB.xyz ├── HB375x10_2.029_NH-O__aniline--acetone_100.xyz ├── HB375x10_2.029_NH-O__aniline--acetone_monA.xyz ├── HB375x10_2.029_NH-O__aniline--acetone_monB.xyz ├── HB375x10_2.030_NH-O__aniline--dimethylcarbonate_100.xyz ├── HB375x10_2.030_NH-O__aniline--dimethylcarbonate_monA.xyz ├── HB375x10_2.030_NH-O__aniline--dimethylcarbonate_monB.xyz ├── HB375x10_2.031_NH-O__aniline--dimethylether_100.xyz ├── HB375x10_2.031_NH-O__aniline--dimethylether_monA.xyz ├── HB375x10_2.031_NH-O__aniline--dimethylether_monB.xyz ├── HB375x10_2.032_NH-O__aniline--dimethylperoxide_100.xyz ├── HB375x10_2.032_NH-O__aniline--dimethylperoxide_monA.xyz ├── HB375x10_2.032_NH-O__aniline--dimethylperoxide_monB.xyz ├── HB375x10_2.033_NH-O__aniline--methanol_100.xyz ├── HB375x10_2.033_NH-O__aniline--methanol_monA.xyz ├── HB375x10_2.033_NH-O__aniline--methanol_monB.xyz ├── HB375x10_2.034_NH-O__aniline--methylacetate_100.xyz ├── HB375x10_2.034_NH-O__aniline--methylacetate_monA.xyz ├── HB375x10_2.034_NH-O__aniline--methylacetate_monB.xyz ├── HB375x10_2.035_NH-O__aniline--Nmethylacetamide_100.xyz ├── HB375x10_2.035_NH-O__aniline--Nmethylacetamide_monA.xyz ├── HB375x10_2.035_NH-O__aniline--Nmethylacetamide_monB.xyz ├── HB375x10_2.036_NH-O__aniline--water_100.xyz ├── HB375x10_2.036_NH-O__aniline--water_monA.xyz ├── HB375x10_2.036_NH-O__aniline--water_monB.xyz ├── HB375x10_2.037_NH-O__dimethylamine--acetaldehyde_100.xyz ├── HB375x10_2.037_NH-O__dimethylamine--acetaldehyde_monA.xyz ├── HB375x10_2.037_NH-O__dimethylamine--acetaldehyde_monB.xyz ├── HB375x10_2.038_NH-O__dimethylamine--acetamide_100.xyz ├── HB375x10_2.038_NH-O__dimethylamine--acetamide_monA.xyz ├── HB375x10_2.038_NH-O__dimethylamine--acetamide_monB.xyz ├── HB375x10_2.039_NH-O__dimethylamine--aceticacid_100.xyz ├── HB375x10_2.039_NH-O__dimethylamine--aceticacid_monA.xyz ├── HB375x10_2.039_NH-O__dimethylamine--aceticacid_monB.xyz ├── HB375x10_2.040_NH-O__dimethylamine--acetone_100.xyz ├── HB375x10_2.040_NH-O__dimethylamine--acetone_monA.xyz ├── HB375x10_2.040_NH-O__dimethylamine--acetone_monB.xyz ├── HB375x10_2.041_NH-O__dimethylamine--dimethylcarbonate_100.xyz ├── HB375x10_2.041_NH-O__dimethylamine--dimethylcarbonate_monA.xyz ├── HB375x10_2.041_NH-O__dimethylamine--dimethylcarbonate_monB.xyz ├── HB375x10_2.042_NH-O__dimethylamine--dimethylether_100.xyz ├── HB375x10_2.042_NH-O__dimethylamine--dimethylether_monA.xyz ├── HB375x10_2.042_NH-O__dimethylamine--dimethylether_monB.xyz ├── HB375x10_2.043_NH-O__dimethylamine--dimethylperoxide_100.xyz ├── HB375x10_2.043_NH-O__dimethylamine--dimethylperoxide_monA.xyz ├── HB375x10_2.043_NH-O__dimethylamine--dimethylperoxide_monB.xyz ├── HB375x10_2.044_NH-O__dimethylamine--methanol_100.xyz ├── HB375x10_2.044_NH-O__dimethylamine--methanol_monA.xyz ├── HB375x10_2.044_NH-O__dimethylamine--methanol_monB.xyz ├── HB375x10_2.045_NH-O__dimethylamine--methylacetate_100.xyz ├── HB375x10_2.045_NH-O__dimethylamine--methylacetate_monA.xyz ├── HB375x10_2.045_NH-O__dimethylamine--methylacetate_monB.xyz ├── HB375x10_2.046_NH-O__dimethylamine--Nmethylacetamide_100.xyz ├── HB375x10_2.046_NH-O__dimethylamine--Nmethylacetamide_monA.xyz ├── HB375x10_2.046_NH-O__dimethylamine--Nmethylacetamide_monB.xyz ├── HB375x10_2.047_NH-O__dimethylamine--phenol_100.xyz ├── HB375x10_2.047_NH-O__dimethylamine--phenol_monA.xyz ├── HB375x10_2.047_NH-O__dimethylamine--phenol_monB.xyz ├── HB375x10_2.048_NH-O__methylamine--acetaldehyde_100.xyz ├── HB375x10_2.048_NH-O__methylamine--acetaldehyde_monA.xyz ├── HB375x10_2.048_NH-O__methylamine--acetaldehyde_monB.xyz ├── HB375x10_2.049_NH-O__methylamine--acetamide_100.xyz ├── HB375x10_2.049_NH-O__methylamine--acetamide_monA.xyz ├── HB375x10_2.049_NH-O__methylamine--acetamide_monB.xyz ├── HB375x10_2.050_NH-O__methylamine--aceticacid_100.xyz ├── HB375x10_2.050_NH-O__methylamine--aceticacid_monA.xyz ├── HB375x10_2.050_NH-O__methylamine--aceticacid_monB.xyz ├── HB375x10_2.051_NH-O__methylamine--acetone_100.xyz ├── HB375x10_2.051_NH-O__methylamine--acetone_monA.xyz ├── HB375x10_2.051_NH-O__methylamine--acetone_monB.xyz ├── HB375x10_2.052_NH-O__methylamine--dimethylcarbonate_100.xyz ├── HB375x10_2.052_NH-O__methylamine--dimethylcarbonate_monA.xyz ├── HB375x10_2.052_NH-O__methylamine--dimethylcarbonate_monB.xyz ├── HB375x10_2.053_NH-O__methylamine--dimethylether_100.xyz ├── HB375x10_2.053_NH-O__methylamine--dimethylether_monA.xyz ├── HB375x10_2.053_NH-O__methylamine--dimethylether_monB.xyz ├── HB375x10_2.054_NH-O__methylamine--dimethylperoxide_100.xyz ├── HB375x10_2.054_NH-O__methylamine--dimethylperoxide_monA.xyz ├── HB375x10_2.054_NH-O__methylamine--dimethylperoxide_monB.xyz ├── HB375x10_2.055_NH-O__methylamine--methylacetate_100.xyz ├── HB375x10_2.055_NH-O__methylamine--methylacetate_monA.xyz ├── HB375x10_2.055_NH-O__methylamine--methylacetate_monB.xyz ├── HB375x10_2.056_NH-O__methylamine--Nmethylacetamide_100.xyz ├── HB375x10_2.056_NH-O__methylamine--Nmethylacetamide_monA.xyz ├── HB375x10_2.056_NH-O__methylamine--Nmethylacetamide_monB.xyz ├── HB375x10_2.057_NH-O__Nmethylacetamide--acetamide_100.xyz ├── HB375x10_2.057_NH-O__Nmethylacetamide--acetamide_monA.xyz ├── HB375x10_2.057_NH-O__Nmethylacetamide--acetamide_monB.xyz ├── HB375x10_2.058_NH-O__Nmethylacetamide--aceticacid_100.xyz ├── HB375x10_2.058_NH-O__Nmethylacetamide--aceticacid_monA.xyz ├── HB375x10_2.058_NH-O__Nmethylacetamide--aceticacid_monB.xyz ├── HB375x10_2.059_NH-O__Nmethylacetamide--dimethylcarbonate_100.xyz ├── HB375x10_2.059_NH-O__Nmethylacetamide--dimethylcarbonate_monA.xyz ├── HB375x10_2.059_NH-O__Nmethylacetamide--dimethylcarbonate_monB.xyz ├── HB375x10_2.060_NH-O__Nmethylacetamide--dimethylether_100.xyz ├── HB375x10_2.060_NH-O__Nmethylacetamide--dimethylether_monA.xyz ├── HB375x10_2.060_NH-O__Nmethylacetamide--dimethylether_monB.xyz ├── HB375x10_2.061_NH-O__Nmethylacetamide--dimethylperoxide_100.xyz ├── HB375x10_2.061_NH-O__Nmethylacetamide--dimethylperoxide_monA.xyz ├── HB375x10_2.061_NH-O__Nmethylacetamide--dimethylperoxide_monB.xyz ├── HB375x10_2.062_NH-O__Nmethylacetamide--methanol_100.xyz ├── HB375x10_2.062_NH-O__Nmethylacetamide--methanol_monA.xyz ├── HB375x10_2.062_NH-O__Nmethylacetamide--methanol_monB.xyz ├── HB375x10_2.063_NH-O__Nmethylacetamide--Nmethylacetamide_100.xyz ├── HB375x10_2.063_NH-O__Nmethylacetamide--Nmethylacetamide_monA.xyz ├── HB375x10_2.063_NH-O__Nmethylacetamide--Nmethylacetamide_monB.xyz ├── HB375x10_2.064_NH-O__Nmethylacetamide--phenol_100.xyz ├── HB375x10_2.064_NH-O__Nmethylacetamide--phenol_monA.xyz ├── HB375x10_2.064_NH-O__Nmethylacetamide--phenol_monB.xyz ├── HB375x10_2.065_NH-O__Nmethylacetamide--water_100.xyz ├── HB375x10_2.065_NH-O__Nmethylacetamide--water_monA.xyz ├── HB375x10_2.065_NH-O__Nmethylacetamide--water_monB.xyz ├── HB375x10_3.001_OH-N__aceticacid--acetonitrile_100.xyz ├── HB375x10_3.001_OH-N__aceticacid--acetonitrile_monA.xyz ├── HB375x10_3.001_OH-N__aceticacid--acetonitrile_monB.xyz ├── HB375x10_3.002_OH-N__aceticacid--ammonia_100.xyz ├── HB375x10_3.002_OH-N__aceticacid--ammonia_monA.xyz ├── HB375x10_3.002_OH-N__aceticacid--ammonia_monB.xyz ├── HB375x10_3.003_OH-N__aceticacid--aniline_100.xyz ├── HB375x10_3.003_OH-N__aceticacid--aniline_monA.xyz ├── HB375x10_3.003_OH-N__aceticacid--aniline_monB.xyz ├── HB375x10_3.004_OH-N__aceticacid--dimethylamine_100.xyz ├── HB375x10_3.004_OH-N__aceticacid--dimethylamine_monA.xyz ├── HB375x10_3.004_OH-N__aceticacid--dimethylamine_monB.xyz ├── HB375x10_3.005_OH-N__aceticacid--dimethyldiazene_100.xyz ├── HB375x10_3.005_OH-N__aceticacid--dimethyldiazene_monA.xyz ├── HB375x10_3.005_OH-N__aceticacid--dimethyldiazene_monB.xyz ├── HB375x10_3.006_OH-N__aceticacid--methylamine_100.xyz ├── HB375x10_3.006_OH-N__aceticacid--methylamine_monA.xyz ├── HB375x10_3.006_OH-N__aceticacid--methylamine_monB.xyz ├── HB375x10_3.007_OH-N__aceticacid--methylazide_100.xyz ├── HB375x10_3.007_OH-N__aceticacid--methylazide_monA.xyz ├── HB375x10_3.007_OH-N__aceticacid--methylazide_monB.xyz ├── HB375x10_3.008_OH-N__aceticacid--methylcyanate_100.xyz ├── HB375x10_3.008_OH-N__aceticacid--methylcyanate_monA.xyz ├── HB375x10_3.008_OH-N__aceticacid--methylcyanate_monB.xyz ├── HB375x10_3.009_OH-N__aceticacid--nitrosomethane_100.xyz ├── HB375x10_3.009_OH-N__aceticacid--nitrosomethane_monA.xyz ├── HB375x10_3.009_OH-N__aceticacid--nitrosomethane_monB.xyz ├── HB375x10_3.010_OH-N__aceticacid--Nmethyl2propanimine_100.xyz ├── HB375x10_3.010_OH-N__aceticacid--Nmethyl2propanimine_monA.xyz ├── HB375x10_3.010_OH-N__aceticacid--Nmethyl2propanimine_monB.xyz ├── HB375x10_3.011_OH-N__aceticacid--pyridine_100.xyz ├── HB375x10_3.011_OH-N__aceticacid--pyridine_monA.xyz ├── HB375x10_3.011_OH-N__aceticacid--pyridine_monB.xyz ├── HB375x10_3.012_OH-N__aceticacid--trimethylamine_100.xyz ├── HB375x10_3.012_OH-N__aceticacid--trimethylamine_monA.xyz ├── HB375x10_3.012_OH-N__aceticacid--trimethylamine_monB.xyz ├── HB375x10_3.013_OH-N__methanol--acetonitrile_100.xyz ├── HB375x10_3.013_OH-N__methanol--acetonitrile_monA.xyz ├── HB375x10_3.013_OH-N__methanol--acetonitrile_monB.xyz ├── HB375x10_3.014_OH-N__methanol--ammonia_100.xyz ├── HB375x10_3.014_OH-N__methanol--ammonia_monA.xyz ├── HB375x10_3.014_OH-N__methanol--ammonia_monB.xyz ├── HB375x10_3.015_OH-N__methanol--aniline_100.xyz ├── HB375x10_3.015_OH-N__methanol--aniline_monA.xyz ├── HB375x10_3.015_OH-N__methanol--aniline_monB.xyz ├── HB375x10_3.016_OH-N__methanol--dimethylamine_100.xyz ├── HB375x10_3.016_OH-N__methanol--dimethylamine_monA.xyz ├── HB375x10_3.016_OH-N__methanol--dimethylamine_monB.xyz ├── HB375x10_3.017_OH-N__methanol--dimethyldiazene_100.xyz ├── HB375x10_3.017_OH-N__methanol--dimethyldiazene_monA.xyz ├── HB375x10_3.017_OH-N__methanol--dimethyldiazene_monB.xyz ├── HB375x10_3.018_OH-N__methanol--methylamine_100.xyz ├── HB375x10_3.018_OH-N__methanol--methylamine_monA.xyz ├── HB375x10_3.018_OH-N__methanol--methylamine_monB.xyz ├── HB375x10_3.019_OH-N__methanol--methylazide_100.xyz ├── HB375x10_3.019_OH-N__methanol--methylazide_monA.xyz ├── HB375x10_3.019_OH-N__methanol--methylazide_monB.xyz ├── HB375x10_3.020_OH-N__methanol--methylcyanate_100.xyz ├── HB375x10_3.020_OH-N__methanol--methylcyanate_monA.xyz ├── HB375x10_3.020_OH-N__methanol--methylcyanate_monB.xyz ├── HB375x10_3.021_OH-N__methanol--Nmethyl2propanimine_100.xyz ├── HB375x10_3.021_OH-N__methanol--Nmethyl2propanimine_monA.xyz ├── HB375x10_3.021_OH-N__methanol--Nmethyl2propanimine_monB.xyz ├── HB375x10_3.022_OH-N__methanol--pyridine_100.xyz ├── HB375x10_3.022_OH-N__methanol--pyridine_monA.xyz ├── HB375x10_3.022_OH-N__methanol--pyridine_monB.xyz ├── HB375x10_3.023_OH-N__methanol--trimethylamine_100.xyz ├── HB375x10_3.023_OH-N__methanol--trimethylamine_monA.xyz ├── HB375x10_3.023_OH-N__methanol--trimethylamine_monB.xyz ├── HB375x10_3.024_OH-N__phenol--acetonitrile_100.xyz ├── HB375x10_3.024_OH-N__phenol--acetonitrile_monA.xyz ├── HB375x10_3.024_OH-N__phenol--acetonitrile_monB.xyz ├── HB375x10_3.025_OH-N__phenol--ammonia_100.xyz ├── HB375x10_3.025_OH-N__phenol--ammonia_monA.xyz ├── HB375x10_3.025_OH-N__phenol--ammonia_monB.xyz ├── HB375x10_3.026_OH-N__phenol--aniline_100.xyz ├── HB375x10_3.026_OH-N__phenol--aniline_monA.xyz ├── HB375x10_3.026_OH-N__phenol--aniline_monB.xyz ├── HB375x10_3.027_OH-N__phenol--dimethylamine_100.xyz ├── HB375x10_3.027_OH-N__phenol--dimethylamine_monA.xyz ├── HB375x10_3.027_OH-N__phenol--dimethylamine_monB.xyz ├── HB375x10_3.028_OH-N__phenol--dimethyldiazene_100.xyz ├── HB375x10_3.028_OH-N__phenol--dimethyldiazene_monA.xyz ├── HB375x10_3.028_OH-N__phenol--dimethyldiazene_monB.xyz ├── HB375x10_3.029_OH-N__phenol--methylamine_100.xyz ├── HB375x10_3.029_OH-N__phenol--methylamine_monA.xyz ├── HB375x10_3.029_OH-N__phenol--methylamine_monB.xyz ├── HB375x10_3.030_OH-N__phenol--methylazide_100.xyz ├── HB375x10_3.030_OH-N__phenol--methylazide_monA.xyz ├── HB375x10_3.030_OH-N__phenol--methylazide_monB.xyz ├── HB375x10_3.031_OH-N__phenol--methylcyanate_100.xyz ├── HB375x10_3.031_OH-N__phenol--methylcyanate_monA.xyz ├── HB375x10_3.031_OH-N__phenol--methylcyanate_monB.xyz ├── HB375x10_3.032_OH-N__phenol--Nmethyl2propanimine_100.xyz ├── HB375x10_3.032_OH-N__phenol--Nmethyl2propanimine_monA.xyz ├── HB375x10_3.032_OH-N__phenol--Nmethyl2propanimine_monB.xyz ├── HB375x10_3.033_OH-N__phenol--pyridine_100.xyz ├── HB375x10_3.033_OH-N__phenol--pyridine_monA.xyz ├── HB375x10_3.033_OH-N__phenol--pyridine_monB.xyz ├── HB375x10_3.034_OH-N__phenol--trimethylamine_100.xyz ├── HB375x10_3.034_OH-N__phenol--trimethylamine_monA.xyz ├── HB375x10_3.034_OH-N__phenol--trimethylamine_monB.xyz ├── HB375x10_3.035_OH-N__water--acetonitrile_100.xyz ├── HB375x10_3.035_OH-N__water--acetonitrile_monA.xyz ├── HB375x10_3.035_OH-N__water--acetonitrile_monB.xyz ├── HB375x10_3.036_OH-N__water--ammonia_100.xyz ├── HB375x10_3.036_OH-N__water--ammonia_monA.xyz ├── HB375x10_3.036_OH-N__water--ammonia_monB.xyz ├── HB375x10_3.037_OH-N__water--aniline_100.xyz ├── HB375x10_3.037_OH-N__water--aniline_monA.xyz ├── HB375x10_3.037_OH-N__water--aniline_monB.xyz ├── HB375x10_3.038_OH-N__water--dimethylamine_100.xyz ├── HB375x10_3.038_OH-N__water--dimethylamine_monA.xyz ├── HB375x10_3.038_OH-N__water--dimethylamine_monB.xyz ├── HB375x10_3.039_OH-N__water--dimethyldiazene_100.xyz ├── HB375x10_3.039_OH-N__water--dimethyldiazene_monA.xyz ├── HB375x10_3.039_OH-N__water--dimethyldiazene_monB.xyz ├── HB375x10_3.040_OH-N__water--methylamine_100.xyz ├── HB375x10_3.040_OH-N__water--methylamine_monA.xyz ├── HB375x10_3.040_OH-N__water--methylamine_monB.xyz ├── HB375x10_3.041_OH-N__water--methylazide_100.xyz ├── HB375x10_3.041_OH-N__water--methylazide_monA.xyz ├── HB375x10_3.041_OH-N__water--methylazide_monB.xyz ├── HB375x10_3.042_OH-N__water--methylcyanate_100.xyz ├── HB375x10_3.042_OH-N__water--methylcyanate_monA.xyz ├── HB375x10_3.042_OH-N__water--methylcyanate_monB.xyz ├── HB375x10_3.043_OH-N__water--Nmethyl2propanimine_100.xyz ├── HB375x10_3.043_OH-N__water--Nmethyl2propanimine_monA.xyz ├── HB375x10_3.043_OH-N__water--Nmethyl2propanimine_monB.xyz ├── HB375x10_3.044_OH-N__water--pyridine_100.xyz ├── HB375x10_3.044_OH-N__water--pyridine_monA.xyz ├── HB375x10_3.044_OH-N__water--pyridine_monB.xyz ├── HB375x10_3.045_OH-N__water--trimethylamine_100.xyz ├── HB375x10_3.045_OH-N__water--trimethylamine_monA.xyz ├── HB375x10_3.045_OH-N__water--trimethylamine_monB.xyz ├── HB375x10_4.001_NH-N__1Hpyrrole--acetonitrile_100.xyz ├── HB375x10_4.001_NH-N__1Hpyrrole--acetonitrile_monA.xyz ├── HB375x10_4.001_NH-N__1Hpyrrole--acetonitrile_monB.xyz ├── HB375x10_4.002_NH-N__1Hpyrrole--ammonia_100.xyz ├── HB375x10_4.002_NH-N__1Hpyrrole--ammonia_monA.xyz ├── HB375x10_4.002_NH-N__1Hpyrrole--ammonia_monB.xyz ├── HB375x10_4.003_NH-N__1Hpyrrole--aniline_100.xyz ├── HB375x10_4.003_NH-N__1Hpyrrole--aniline_monA.xyz ├── HB375x10_4.003_NH-N__1Hpyrrole--aniline_monB.xyz ├── HB375x10_4.004_NH-N__1Hpyrrole--dimethylamine_100.xyz ├── HB375x10_4.004_NH-N__1Hpyrrole--dimethylamine_monA.xyz ├── HB375x10_4.004_NH-N__1Hpyrrole--dimethylamine_monB.xyz ├── HB375x10_4.005_NH-N__1Hpyrrole--dimethyldiazene_100.xyz ├── HB375x10_4.005_NH-N__1Hpyrrole--dimethyldiazene_monA.xyz ├── HB375x10_4.005_NH-N__1Hpyrrole--dimethyldiazene_monB.xyz ├── HB375x10_4.006_NH-N__1Hpyrrole--methylamine_100.xyz ├── HB375x10_4.006_NH-N__1Hpyrrole--methylamine_monA.xyz ├── HB375x10_4.006_NH-N__1Hpyrrole--methylamine_monB.xyz ├── HB375x10_4.007_NH-N__1Hpyrrole--methylcyanate_100.xyz ├── HB375x10_4.007_NH-N__1Hpyrrole--methylcyanate_monA.xyz ├── HB375x10_4.007_NH-N__1Hpyrrole--methylcyanate_monB.xyz ├── HB375x10_4.008_NH-N__1Hpyrrole--Nmethyl2propanimine_100.xyz ├── HB375x10_4.008_NH-N__1Hpyrrole--Nmethyl2propanimine_monA.xyz ├── HB375x10_4.008_NH-N__1Hpyrrole--Nmethyl2propanimine_monB.xyz ├── HB375x10_4.009_NH-N__1Hpyrrole--pyridine_100.xyz ├── HB375x10_4.009_NH-N__1Hpyrrole--pyridine_monA.xyz ├── HB375x10_4.009_NH-N__1Hpyrrole--pyridine_monB.xyz ├── HB375x10_4.010_NH-N__1Hpyrrole--trimethylamine_100.xyz ├── HB375x10_4.010_NH-N__1Hpyrrole--trimethylamine_monA.xyz ├── HB375x10_4.010_NH-N__1Hpyrrole--trimethylamine_monB.xyz ├── HB375x10_4.011_NH-N__ammonia--ammonia_100.xyz ├── HB375x10_4.011_NH-N__ammonia--ammonia_monA.xyz ├── HB375x10_4.011_NH-N__ammonia--ammonia_monB.xyz ├── HB375x10_4.012_NH-N__ammonia--dimethylamine_100.xyz ├── HB375x10_4.012_NH-N__ammonia--dimethylamine_monA.xyz ├── HB375x10_4.012_NH-N__ammonia--dimethylamine_monB.xyz ├── HB375x10_4.013_NH-N__ammonia--dimethyldiazene_100.xyz ├── HB375x10_4.013_NH-N__ammonia--dimethyldiazene_monA.xyz ├── HB375x10_4.013_NH-N__ammonia--dimethyldiazene_monB.xyz ├── HB375x10_4.014_NH-N__ammonia--methylamine_100.xyz ├── HB375x10_4.014_NH-N__ammonia--methylamine_monA.xyz ├── HB375x10_4.014_NH-N__ammonia--methylamine_monB.xyz ├── HB375x10_4.015_NH-N__ammonia--Nmethyl2propanimine_100.xyz ├── HB375x10_4.015_NH-N__ammonia--Nmethyl2propanimine_monA.xyz ├── HB375x10_4.015_NH-N__ammonia--Nmethyl2propanimine_monB.xyz ├── HB375x10_4.016_NH-N__ammonia--pyridine_100.xyz ├── HB375x10_4.016_NH-N__ammonia--pyridine_monA.xyz ├── HB375x10_4.016_NH-N__ammonia--pyridine_monB.xyz ├── HB375x10_4.017_NH-N__ammonia--trimethylamine_100.xyz ├── HB375x10_4.017_NH-N__ammonia--trimethylamine_monA.xyz ├── HB375x10_4.017_NH-N__ammonia--trimethylamine_monB.xyz ├── HB375x10_4.018_NH-N__aniline--ammonia_100.xyz ├── HB375x10_4.018_NH-N__aniline--ammonia_monA.xyz ├── HB375x10_4.018_NH-N__aniline--ammonia_monB.xyz ├── HB375x10_4.019_NH-N__aniline--aniline_100.xyz ├── HB375x10_4.019_NH-N__aniline--aniline_monA.xyz ├── HB375x10_4.019_NH-N__aniline--aniline_monB.xyz ├── HB375x10_4.020_NH-N__aniline--dimethylamine_100.xyz ├── HB375x10_4.020_NH-N__aniline--dimethylamine_monA.xyz ├── HB375x10_4.020_NH-N__aniline--dimethylamine_monB.xyz ├── HB375x10_4.021_NH-N__aniline--dimethyldiazene_100.xyz ├── HB375x10_4.021_NH-N__aniline--dimethyldiazene_monA.xyz ├── HB375x10_4.021_NH-N__aniline--dimethyldiazene_monB.xyz ├── HB375x10_4.022_NH-N__aniline--methylamine_100.xyz ├── HB375x10_4.022_NH-N__aniline--methylamine_monA.xyz ├── HB375x10_4.022_NH-N__aniline--methylamine_monB.xyz ├── HB375x10_4.023_NH-N__aniline--methylcyanate_100.xyz ├── HB375x10_4.023_NH-N__aniline--methylcyanate_monA.xyz ├── HB375x10_4.023_NH-N__aniline--methylcyanate_monB.xyz ├── HB375x10_4.024_NH-N__aniline--Nmethyl2propanimine_100.xyz ├── HB375x10_4.024_NH-N__aniline--Nmethyl2propanimine_monA.xyz ├── HB375x10_4.024_NH-N__aniline--Nmethyl2propanimine_monB.xyz ├── HB375x10_4.025_NH-N__aniline--pyridine_100.xyz ├── HB375x10_4.025_NH-N__aniline--pyridine_monA.xyz ├── HB375x10_4.025_NH-N__aniline--pyridine_monB.xyz ├── HB375x10_4.026_NH-N__aniline--trimethylamine_100.xyz ├── HB375x10_4.026_NH-N__aniline--trimethylamine_monA.xyz ├── HB375x10_4.026_NH-N__aniline--trimethylamine_monB.xyz ├── HB375x10_4.027_NH-N__dimethylamine--acetonitrile_100.xyz ├── HB375x10_4.027_NH-N__dimethylamine--acetonitrile_monA.xyz ├── HB375x10_4.027_NH-N__dimethylamine--acetonitrile_monB.xyz ├── HB375x10_4.028_NH-N__dimethylamine--ammonia_100.xyz ├── HB375x10_4.028_NH-N__dimethylamine--ammonia_monA.xyz ├── HB375x10_4.028_NH-N__dimethylamine--ammonia_monB.xyz ├── HB375x10_4.029_NH-N__dimethylamine--aniline_100.xyz ├── HB375x10_4.029_NH-N__dimethylamine--aniline_monA.xyz ├── HB375x10_4.029_NH-N__dimethylamine--aniline_monB.xyz ├── HB375x10_4.030_NH-N__dimethylamine--dimethylamine_100.xyz ├── HB375x10_4.030_NH-N__dimethylamine--dimethylamine_monA.xyz ├── HB375x10_4.030_NH-N__dimethylamine--dimethylamine_monB.xyz ├── HB375x10_4.031_NH-N__dimethylamine--dimethyldiazene_100.xyz ├── HB375x10_4.031_NH-N__dimethylamine--dimethyldiazene_monA.xyz ├── HB375x10_4.031_NH-N__dimethylamine--dimethyldiazene_monB.xyz ├── HB375x10_4.032_NH-N__dimethylamine--methylazide_100.xyz ├── HB375x10_4.032_NH-N__dimethylamine--methylazide_monA.xyz ├── HB375x10_4.032_NH-N__dimethylamine--methylazide_monB.xyz ├── HB375x10_4.033_NH-N__dimethylamine--Nmethyl2propanimine_100.xyz ├── HB375x10_4.033_NH-N__dimethylamine--Nmethyl2propanimine_monA.xyz ├── HB375x10_4.033_NH-N__dimethylamine--Nmethyl2propanimine_monB.xyz ├── HB375x10_4.034_NH-N__dimethylamine--pyridine_100.xyz ├── HB375x10_4.034_NH-N__dimethylamine--pyridine_monA.xyz ├── HB375x10_4.034_NH-N__dimethylamine--pyridine_monB.xyz ├── HB375x10_4.035_NH-N__dimethylamine--trimethylamine_100.xyz ├── HB375x10_4.035_NH-N__dimethylamine--trimethylamine_monA.xyz ├── HB375x10_4.035_NH-N__dimethylamine--trimethylamine_monB.xyz ├── HB375x10_4.036_NH-N__methylamine--acetonitrile_100.xyz ├── HB375x10_4.036_NH-N__methylamine--acetonitrile_monA.xyz ├── HB375x10_4.036_NH-N__methylamine--acetonitrile_monB.xyz ├── HB375x10_4.037_NH-N__methylamine--ammonia_100.xyz ├── HB375x10_4.037_NH-N__methylamine--ammonia_monA.xyz ├── HB375x10_4.037_NH-N__methylamine--ammonia_monB.xyz ├── HB375x10_4.038_NH-N__methylamine--dimethylamine_100.xyz ├── HB375x10_4.038_NH-N__methylamine--dimethylamine_monA.xyz ├── HB375x10_4.038_NH-N__methylamine--dimethylamine_monB.xyz ├── HB375x10_4.039_NH-N__methylamine--dimethyldiazene_100.xyz ├── HB375x10_4.039_NH-N__methylamine--dimethyldiazene_monA.xyz ├── HB375x10_4.039_NH-N__methylamine--dimethyldiazene_monB.xyz ├── HB375x10_4.040_NH-N__methylamine--methylamine_100.xyz ├── HB375x10_4.040_NH-N__methylamine--methylamine_monA.xyz ├── HB375x10_4.040_NH-N__methylamine--methylamine_monB.xyz ├── HB375x10_4.041_NH-N__methylamine--Nmethyl2propanimine_100.xyz ├── HB375x10_4.041_NH-N__methylamine--Nmethyl2propanimine_monA.xyz ├── HB375x10_4.041_NH-N__methylamine--Nmethyl2propanimine_monB.xyz ├── HB375x10_4.042_NH-N__methylamine--pyridine_100.xyz ├── HB375x10_4.042_NH-N__methylamine--pyridine_monA.xyz ├── HB375x10_4.042_NH-N__methylamine--pyridine_monB.xyz ├── HB375x10_4.043_NH-N__methylamine--trimethylamine_100.xyz ├── HB375x10_4.043_NH-N__methylamine--trimethylamine_monA.xyz ├── HB375x10_4.043_NH-N__methylamine--trimethylamine_monB.xyz ├── HB375x10_4.044_NH-N__Nmethylacetamide--acetonitrile_100.xyz ├── HB375x10_4.044_NH-N__Nmethylacetamide--acetonitrile_monA.xyz ├── HB375x10_4.044_NH-N__Nmethylacetamide--acetonitrile_monB.xyz ├── HB375x10_4.045_NH-N__Nmethylacetamide--ammonia_100.xyz ├── HB375x10_4.045_NH-N__Nmethylacetamide--ammonia_monA.xyz ├── HB375x10_4.045_NH-N__Nmethylacetamide--ammonia_monB.xyz ├── HB375x10_4.046_NH-N__Nmethylacetamide--aniline_100.xyz ├── HB375x10_4.046_NH-N__Nmethylacetamide--aniline_monA.xyz ├── HB375x10_4.046_NH-N__Nmethylacetamide--aniline_monB.xyz ├── HB375x10_4.047_NH-N__Nmethylacetamide--dimethylamine_100.xyz ├── HB375x10_4.047_NH-N__Nmethylacetamide--dimethylamine_monA.xyz ├── HB375x10_4.047_NH-N__Nmethylacetamide--dimethylamine_monB.xyz ├── HB375x10_4.048_NH-N__Nmethylacetamide--dimethyldiazene_100.xyz ├── HB375x10_4.048_NH-N__Nmethylacetamide--dimethyldiazene_monA.xyz ├── HB375x10_4.048_NH-N__Nmethylacetamide--dimethyldiazene_monB.xyz ├── HB375x10_4.049_NH-N__Nmethylacetamide--methylamine_100.xyz ├── HB375x10_4.049_NH-N__Nmethylacetamide--methylamine_monA.xyz ├── HB375x10_4.049_NH-N__Nmethylacetamide--methylamine_monB.xyz ├── HB375x10_4.050_NH-N__Nmethylacetamide--methylazide_100.xyz ├── HB375x10_4.050_NH-N__Nmethylacetamide--methylazide_monA.xyz ├── HB375x10_4.050_NH-N__Nmethylacetamide--methylazide_monB.xyz ├── HB375x10_4.051_NH-N__Nmethylacetamide--Nmethyl2propanimine_100.xyz ├── HB375x10_4.051_NH-N__Nmethylacetamide--Nmethyl2propanimine_monA.xyz ├── HB375x10_4.051_NH-N__Nmethylacetamide--Nmethyl2propanimine_monB.xyz ├── HB375x10_4.052_NH-N__Nmethylacetamide--pyridine_100.xyz ├── HB375x10_4.052_NH-N__Nmethylacetamide--pyridine_monA.xyz ├── HB375x10_4.052_NH-N__Nmethylacetamide--pyridine_monB.xyz ├── HB375x10_4.053_NH-N__Nmethylacetamide--trimethylamine_100.xyz ├── HB375x10_4.053_NH-N__Nmethylacetamide--trimethylamine_monA.xyz ├── HB375x10_4.053_NH-N__Nmethylacetamide--trimethylamine_monB.xyz ├── HB375x10_5.001_CH-O__ethyne--acetaldehyde_100.xyz ├── HB375x10_5.001_CH-O__ethyne--acetaldehyde_monA.xyz ├── HB375x10_5.001_CH-O__ethyne--acetaldehyde_monB.xyz ├── HB375x10_5.002_CH-O__ethyne--acetamide_100.xyz ├── HB375x10_5.002_CH-O__ethyne--acetamide_monA.xyz ├── HB375x10_5.002_CH-O__ethyne--acetamide_monB.xyz ├── HB375x10_5.003_CH-O__ethyne--aceticacid_100.xyz ├── HB375x10_5.003_CH-O__ethyne--aceticacid_monA.xyz ├── HB375x10_5.003_CH-O__ethyne--aceticacid_monB.xyz ├── HB375x10_5.004_CH-O__ethyne--acetone_100.xyz ├── HB375x10_5.004_CH-O__ethyne--acetone_monA.xyz ├── HB375x10_5.004_CH-O__ethyne--acetone_monB.xyz ├── HB375x10_5.005_CH-O__ethyne--dimethylcarbonate_100.xyz ├── HB375x10_5.005_CH-O__ethyne--dimethylcarbonate_monA.xyz ├── HB375x10_5.005_CH-O__ethyne--dimethylcarbonate_monB.xyz ├── HB375x10_5.006_CH-O__ethyne--dimethylether_100.xyz ├── HB375x10_5.006_CH-O__ethyne--dimethylether_monA.xyz ├── HB375x10_5.006_CH-O__ethyne--dimethylether_monB.xyz ├── HB375x10_5.007_CH-O__ethyne--dimethylperoxide_100.xyz ├── HB375x10_5.007_CH-O__ethyne--dimethylperoxide_monA.xyz ├── HB375x10_5.007_CH-O__ethyne--dimethylperoxide_monB.xyz ├── HB375x10_5.008_CH-O__ethyne--methanol_100.xyz ├── HB375x10_5.008_CH-O__ethyne--methanol_monA.xyz ├── HB375x10_5.008_CH-O__ethyne--methanol_monB.xyz ├── HB375x10_5.009_CH-O__ethyne--methylacetate_100.xyz ├── HB375x10_5.009_CH-O__ethyne--methylacetate_monA.xyz ├── HB375x10_5.009_CH-O__ethyne--methylacetate_monB.xyz ├── HB375x10_5.010_CH-O__ethyne--nitromethane_100.xyz ├── HB375x10_5.010_CH-O__ethyne--nitromethane_monA.xyz ├── HB375x10_5.010_CH-O__ethyne--nitromethane_monB.xyz ├── HB375x10_5.011_CH-O__ethyne--nitrosomethane_100.xyz ├── HB375x10_5.011_CH-O__ethyne--nitrosomethane_monA.xyz ├── HB375x10_5.011_CH-O__ethyne--nitrosomethane_monB.xyz ├── HB375x10_5.012_CH-O__ethyne--Nmethylacetamide_100.xyz ├── HB375x10_5.012_CH-O__ethyne--Nmethylacetamide_monA.xyz ├── HB375x10_5.012_CH-O__ethyne--Nmethylacetamide_monB.xyz ├── HB375x10_5.013_CH-O__ethyne--phenol_100.xyz ├── HB375x10_5.013_CH-O__ethyne--phenol_monA.xyz ├── HB375x10_5.013_CH-O__ethyne--phenol_monB.xyz ├── HB375x10_5.014_CH-O__ethyne--water_100.xyz ├── HB375x10_5.014_CH-O__ethyne--water_monA.xyz ├── HB375x10_5.014_CH-O__ethyne--water_monB.xyz ├── HB375x10_5.015_CH-O__methylacetate--Nmethylacetamide_100.xyz ├── HB375x10_5.015_CH-O__methylacetate--Nmethylacetamide_monA.xyz ├── HB375x10_5.015_CH-O__methylacetate--Nmethylacetamide_monB.xyz ├── HB375x10_5.016_CH-O__methylcyanate--Nmethylacetamide_100.xyz ├── HB375x10_5.016_CH-O__methylcyanate--Nmethylacetamide_monA.xyz ├── HB375x10_5.016_CH-O__methylcyanate--Nmethylacetamide_monB.xyz ├── HB375x10_5.017_CH-O__methylisocyanide--Nmethylacetamide_100.xyz ├── HB375x10_5.017_CH-O__methylisocyanide--Nmethylacetamide_monA.xyz ├── HB375x10_5.017_CH-O__methylisocyanide--Nmethylacetamide_monB.xyz ├── HB375x10_5.018_CH-O__nitromethane--Nmethylacetamide_100.xyz ├── HB375x10_5.018_CH-O__nitromethane--Nmethylacetamide_monA.xyz ├── HB375x10_5.018_CH-O__nitromethane--Nmethylacetamide_monB.xyz ├── HB375x10_5.019_CH-O__nitrosomethane--Nmethylacetamide_100.xyz ├── HB375x10_5.019_CH-O__nitrosomethane--Nmethylacetamide_monA.xyz ├── HB375x10_5.019_CH-O__nitrosomethane--Nmethylacetamide_monB.xyz ├── HB375x10_6.001_CH-N__ethyne--acetonitrile_100.xyz ├── HB375x10_6.001_CH-N__ethyne--acetonitrile_monA.xyz ├── HB375x10_6.001_CH-N__ethyne--acetonitrile_monB.xyz ├── HB375x10_6.002_CH-N__ethyne--ammonia_100.xyz ├── HB375x10_6.002_CH-N__ethyne--ammonia_monA.xyz ├── HB375x10_6.002_CH-N__ethyne--ammonia_monB.xyz ├── HB375x10_6.003_CH-N__ethyne--aniline_100.xyz ├── HB375x10_6.003_CH-N__ethyne--aniline_monA.xyz ├── HB375x10_6.003_CH-N__ethyne--aniline_monB.xyz ├── HB375x10_6.004_CH-N__ethyne--dimethylamine_100.xyz ├── HB375x10_6.004_CH-N__ethyne--dimethylamine_monA.xyz ├── HB375x10_6.004_CH-N__ethyne--dimethylamine_monB.xyz ├── HB375x10_6.005_CH-N__ethyne--dimethyldiazene_100.xyz ├── HB375x10_6.005_CH-N__ethyne--dimethyldiazene_monA.xyz ├── HB375x10_6.005_CH-N__ethyne--dimethyldiazene_monB.xyz ├── HB375x10_6.006_CH-N__ethyne--methylamine_100.xyz ├── HB375x10_6.006_CH-N__ethyne--methylamine_monA.xyz ├── HB375x10_6.006_CH-N__ethyne--methylamine_monB.xyz ├── HB375x10_6.007_CH-N__ethyne--methylazide_100.xyz ├── HB375x10_6.007_CH-N__ethyne--methylazide_monA.xyz ├── HB375x10_6.007_CH-N__ethyne--methylazide_monB.xyz ├── HB375x10_6.008_CH-N__ethyne--Nmethyl2propanimine_100.xyz ├── HB375x10_6.008_CH-N__ethyne--Nmethyl2propanimine_monA.xyz ├── HB375x10_6.008_CH-N__ethyne--Nmethyl2propanimine_monB.xyz ├── HB375x10_6.009_CH-N__ethyne--pyridine_100.xyz ├── HB375x10_6.009_CH-N__ethyne--pyridine_monA.xyz ├── HB375x10_6.009_CH-N__ethyne--pyridine_monB.xyz ├── HB375x10_6.010_CH-N__ethyne--trimethylamine_100.xyz ├── HB375x10_6.010_CH-N__ethyne--trimethylamine_monA.xyz ├── HB375x10_6.010_CH-N__ethyne--trimethylamine_monB.xyz ├── HB375x10_6.011_CH-N__furan--methylamine_100.xyz ├── HB375x10_6.011_CH-N__furan--methylamine_monA.xyz ├── HB375x10_6.011_CH-N__furan--methylamine_monB.xyz ├── HB375x10_6.012_CH-N__methylcyanate--ammonia_100.xyz ├── HB375x10_6.012_CH-N__methylcyanate--ammonia_monA.xyz ├── HB375x10_6.012_CH-N__methylcyanate--ammonia_monB.xyz ├── HB375x10_6.013_CH-N__methylcyanate--dimethylamine_100.xyz ├── HB375x10_6.013_CH-N__methylcyanate--dimethylamine_monA.xyz ├── HB375x10_6.013_CH-N__methylcyanate--dimethylamine_monB.xyz ├── HB375x10_6.014_CH-N__methylcyanate--methylamine_100.xyz ├── HB375x10_6.014_CH-N__methylcyanate--methylamine_monA.xyz ├── HB375x10_6.014_CH-N__methylcyanate--methylamine_monB.xyz ├── HB375x10_6.015_CH-N__methylisocyanide--dimethylamine_100.xyz ├── HB375x10_6.015_CH-N__methylisocyanide--dimethylamine_monA.xyz ├── HB375x10_6.015_CH-N__methylisocyanide--dimethylamine_monB.xyz ├── HB375x10_6.016_CH-N__methylisocyanide--methylamine_100.xyz ├── HB375x10_6.016_CH-N__methylisocyanide--methylamine_monA.xyz ├── HB375x10_6.016_CH-N__methylisocyanide--methylamine_monB.xyz ├── HB375x10_6.017_CH-N__nitromethane--dimethylamine_100.xyz ├── HB375x10_6.017_CH-N__nitromethane--dimethylamine_monA.xyz ├── HB375x10_6.017_CH-N__nitromethane--dimethylamine_monB.xyz ├── HB375x10_6.018_CH-N__nitromethane--methylamine_100.xyz ├── HB375x10_6.018_CH-N__nitromethane--methylamine_monA.xyz ├── HB375x10_6.018_CH-N__nitromethane--methylamine_monB.xyz ├── HB375x10_6.019_CH-N__nitrosomethane--dimethylamine_100.xyz ├── HB375x10_6.019_CH-N__nitrosomethane--dimethylamine_monA.xyz ├── HB375x10_6.019_CH-N__nitrosomethane--dimethylamine_monB.xyz ├── HB375x10_6.020_CH-N__nitrosomethane--methylamine_100.xyz ├── HB375x10_6.020_CH-N__nitrosomethane--methylamine_monA.xyz ├── HB375x10_6.020_CH-N__nitrosomethane--methylamine_monB.xyz ├── HCP32_10_FSeH-SHF_dim.xyz ├── HCP32_10_FSeH-SHF_monA.xyz ├── HCP32_10_FSeH-SHF_monB.xyz ├── HCP32_11_FSH-OHF_dim.xyz ├── HCP32_11_FSH-OHF_monA.xyz ├── HCP32_11_FSH-OHF_monB.xyz ├── HCP32_12_FSH-OH2_dim.xyz ├── HCP32_12_FSH-OH2_monA.xyz ├── HCP32_12_FSH-OH2_monB.xyz ├── HCP32_13_FSH-SH2_dim.xyz ├── HCP32_13_FSH-SH2_monA.xyz ├── HCP32_13_FSH-SH2_monB.xyz ├── HCP32_14_FSH-SF2_dim.xyz ├── HCP32_14_FSH-SF2_monA.xyz ├── HCP32_14_FSH-SF2_monB.xyz ├── HCP32_15_FPH2_2_dim.xyz ├── HCP32_15_FPH2_2_monA.xyz ├── HCP32_15_FPH2_2_monB.xyz ├── HCP32_16_FNH2_2_dim.xyz ├── HCP32_16_FNH2_2_monA.xyz ├── HCP32_16_FNH2_2_monB.xyz ├── HCP32_17_FH2As-PFH2_dim.xyz ├── HCP32_17_FH2As-PFH2_monA.xyz ├── HCP32_17_FH2As-PFH2_monB.xyz ├── HCP32_18_FH2P-NFH2_dim.xyz ├── HCP32_18_FH2P-NFH2_monA.xyz ├── HCP32_18_FH2P-NFH2_monB.xyz ├── HCP32_19_FH2P-PH3_dim.xyz ├── HCP32_19_FH2P-PH3_monA.xyz ├── HCP32_19_FH2P-PH3_monB.xyz ├── HCP32_1_Cl2_2_dim.xyz ├── HCP32_1_Cl2_2_monA.xyz ├── HCP32_1_Cl2_2_monB.xyz ├── HCP32_20_FH2P-NH3_dim.xyz ├── HCP32_20_FH2P-NH3_monA.xyz ├── HCP32_20_FH2P-NH3_monB.xyz ├── HCP32_21_FHS-PH2F_dim.xyz ├── HCP32_21_FHS-PH2F_monA.xyz ├── HCP32_21_FHS-PH2F_monB.xyz ├── HCP32_22_FHSe-PH2F_dim.xyz ├── HCP32_22_FHSe-PH2F_monA.xyz ├── HCP32_22_FHSe-PH2F_monB.xyz ├── HCP32_23_FHS-AsH2F_dim.xyz ├── HCP32_23_FHS-AsH2F_monA.xyz ├── HCP32_23_FHS-AsH2F_monB.xyz ├── HCP32_24_FH2P-SH2O_dim.xyz ├── HCP32_24_FH2P-SH2O_monA.xyz ├── HCP32_24_FH2P-SH2O_monB.xyz ├── HCP32_25_FH2P-SHF_dim.xyz ├── HCP32_25_FH2P-SHF_monA.xyz ├── HCP32_25_FH2P-SHF_monB.xyz ├── HCP32_26_FHS-PH2F_dim.xyz ├── HCP32_26_FHS-PH2F_monA.xyz ├── HCP32_26_FHS-PH2F_monB.xyz ├── HCP32_27_FHS-PF2H_dim.xyz ├── HCP32_27_FHS-PF2H_monA.xyz ├── HCP32_27_FHS-PF2H_monB.xyz ├── HCP32_28_FHS-PH3_dim.xyz ├── HCP32_28_FHS-PH3_monA.xyz ├── HCP32_28_FHS-PH3_monB.xyz ├── HCP32_29_FH2P-SH2_dim.xyz ├── HCP32_29_FH2P-SH2_monA.xyz ├── HCP32_29_FH2P-SH2_monB.xyz ├── HCP32_2_FCl_2_dim.xyz ├── HCP32_2_FCl_2_monA.xyz ├── HCP32_2_FCl_2_monB.xyz ├── HCP32_30_FH2P-SF2_dim.xyz ├── HCP32_30_FH2P-SF2_monA.xyz ├── HCP32_30_FH2P-SF2_monB.xyz ├── HCP32_31_FPH2-Cl2_dim.xyz ├── HCP32_31_FPH2-Cl2_monA.xyz ├── HCP32_31_FPH2-Cl2_monB.xyz ├── HCP32_32_Cl2-PH2F_dim.xyz ├── HCP32_32_Cl2-PH2F_monA.xyz ├── HCP32_32_Cl2-PH2F_monB.xyz ├── HCP32_3_FBr_2_dim.xyz ├── HCP32_3_FBr_2_monA.xyz ├── HCP32_3_FBr_2_monB.xyz ├── HCP32_4_Cl2_2_dim.xyz ├── HCP32_4_Cl2_2_monA.xyz ├── HCP32_4_Cl2_2_monB.xyz ├── HCP32_5_FCl_2_dim.xyz ├── HCP32_5_FCl_2_monA.xyz ├── HCP32_5_FCl_2_monB.xyz ├── HCP32_6_FBr_2_dim.xyz ├── HCP32_6_FBr_2_monA.xyz ├── HCP32_6_FBr_2_monB.xyz ├── HCP32_7_FHS_2_dim.xyz ├── HCP32_7_FHS_2_monA.xyz ├── HCP32_7_FHS_2_monB.xyz ├── HCP32_8_FHS_2_dim.xyz ├── HCP32_8_FHS_2_monA.xyz ├── HCP32_8_FHS_2_monB.xyz ├── HCP32_9_OSH2_2_dim.xyz ├── HCP32_9_OSH2_2_monA.xyz ├── HCP32_9_OSH2_2_monB.xyz ├── HEAVY28_bih3.xyz ├── HEAVY28_bih3_2.xyz ├── HEAVY28_bih3_h2o.xyz ├── HEAVY28_bih3_h2s.xyz ├── HEAVY28_bih3_hbr.xyz ├── HEAVY28_bih3_hcl.xyz ├── HEAVY28_bih3_hi.xyz ├── HEAVY28_bih3_nh3.xyz ├── HEAVY28_h2o.xyz ├── HEAVY28_h2s.xyz ├── HEAVY28_hbr.xyz ├── HEAVY28_hcl.xyz ├── HEAVY28_hi.xyz ├── HEAVY28_nh3.xyz ├── HEAVY28_pbh4.xyz ├── HEAVY28_pbh4_2.xyz ├── HEAVY28_pbh4_bih3.xyz ├── HEAVY28_pbh4_h2o.xyz ├── HEAVY28_pbh4_hbr.xyz ├── HEAVY28_pbh4_hcl.xyz ├── HEAVY28_pbh4_hi.xyz ├── HEAVY28_pbh4_teh2.xyz ├── HEAVY28_sbh3.xyz ├── HEAVY28_sbh3_2.xyz ├── HEAVY28_sbh3_h2o.xyz ├── HEAVY28_sbh3_h2s.xyz ├── HEAVY28_sbh3_hbr.xyz ├── HEAVY28_sbh3_hcl.xyz ├── HEAVY28_sbh3_hi.xyz ├── HEAVY28_sbh3_nh3.xyz ├── HEAVY28_teh2.xyz ├── HEAVY28_teh2_2.xyz ├── HEAVY28_teh2_h2o.xyz ├── HEAVY28_teh2_h2s.xyz ├── HEAVY28_teh2_hbr.xyz ├── HEAVY28_teh2_hcl.xyz ├── HEAVY28_teh2_hi.xyz ├── HEAVY28_teh2_nh3.xyz ├── HEAVYSB11_as2me4.xyz ├── HEAVYSB11_asme2.xyz ├── HEAVYSB11_br.xyz ├── HEAVYSB11_br2.xyz ├── HEAVYSB11_cl.xyz ├── HEAVYSB11_cl2.xyz ├── HEAVYSB11_ge2h6.xyz ├── HEAVYSB11_geh3.xyz ├── HEAVYSB11_h2s2.xyz ├── HEAVYSB11_h2se2.xyz ├── HEAVYSB11_p2me4.xyz ├── HEAVYSB11_pb2me6.xyz ├── HEAVYSB11_pbme3.xyz ├── HEAVYSB11_pme2.xyz ├── HEAVYSB11_sb2me4.xyz ├── HEAVYSB11_sbme2.xyz ├── HEAVYSB11_seh.xyz ├── HEAVYSB11_sh.xyz ├── HEAVYSB11_sn2me6.xyz ├── HEAVYSB11_snme3.xyz ├── HEAVYSB11_te2me2.xyz ├── HEAVYSB11_teme.xyz ├── HR46_1-3-butadiene.xyz ├── HR46_1-3-butadiene0+.xyz ├── HR46_1-3-butadiene0-.xyz ├── HR46_1-3-butadiene1+.xyz ├── HR46_1-3-butadiene1-.xyz ├── HR46_1-3-butadiene2+.xyz ├── HR46_1-3-butadiene2-.xyz ├── HR46_1-pentene.xyz ├── HR46_1-pentene0+.xyz ├── HR46_1-pentene0-.xyz ├── HR46_1-pentene1+.xyz ├── HR46_1-pentene1-.xyz ├── HR46_1-pentene2+.xyz ├── HR46_1-pentene2-.xyz ├── HR46_N-methylacetamide.xyz ├── HR46_N-methylacetamide0+.xyz ├── HR46_N-methylacetamide0-.xyz ├── HR46_N-methylacetamide1+.xyz ├── HR46_N-methylacetamide1-.xyz ├── HR46_N-methylacetamide2+.xyz ├── HR46_N-methylacetamide2-.xyz ├── HR46_acetaldehyde.xyz ├── HR46_acetaldehyde0+.xyz ├── HR46_acetaldehyde0-.xyz ├── HR46_acetaldehyde1+.xyz ├── HR46_acetaldehyde1-.xyz ├── HR46_acetaldehyde2+.xyz ├── HR46_acetaldehyde2-.xyz ├── HR46_acetic_acid.xyz ├── HR46_acetic_acid0+.xyz ├── HR46_acetic_acid0-.xyz ├── HR46_acetic_acid1+.xyz ├── HR46_acetic_acid1-.xyz ├── HR46_acetic_acid2+.xyz ├── HR46_acetic_acid2-.xyz ├── HR46_acetone.xyz ├── HR46_acetone0+.xyz ├── HR46_acetone0-.xyz ├── HR46_acetone1+.xyz ├── HR46_acetone1-.xyz ├── HR46_acetone2+.xyz ├── HR46_acetone2-.xyz ├── HR46_acetonitrile.xyz ├── HR46_acetonitrile0+.xyz ├── HR46_acetonitrile0-.xyz ├── HR46_acetonitrile1+.xyz ├── HR46_acetonitrile1-.xyz ├── HR46_acetonitrile2+.xyz ├── HR46_acetonitrile2-.xyz ├── HR46_ammonia.xyz ├── HR46_ammonia0+.xyz ├── HR46_ammonia0-.xyz ├── HR46_ammonia1+.xyz ├── HR46_ammonia1-.xyz ├── HR46_ammonia2+.xyz ├── HR46_ammonia2-.xyz ├── HR46_benzene.xyz ├── HR46_benzene0+.xyz ├── HR46_benzene0-.xyz ├── HR46_benzene1+.xyz ├── HR46_benzene1-.xyz ├── HR46_benzene2+.xyz ├── HR46_benzene2-.xyz ├── HR46_bromine.xyz ├── HR46_bromine0+.xyz ├── HR46_bromine0-.xyz ├── HR46_bromine1+.xyz ├── HR46_bromine1-.xyz ├── HR46_carbon_dioxide.xyz ├── HR46_carbon_dioxide0+.xyz ├── HR46_carbon_dioxide0-.xyz ├── HR46_carbon_dioxide1+.xyz ├── HR46_carbon_dioxide1-.xyz ├── HR46_carbon_monoxide.xyz ├── HR46_carbon_monoxide0+.xyz ├── HR46_carbon_monoxide0-.xyz ├── HR46_carbon_monoxide1+.xyz ├── HR46_carbon_monoxide1-.xyz ├── HR46_chlorine.xyz ├── HR46_chlorine0+.xyz ├── HR46_chlorine0-.xyz ├── HR46_chlorine1+.xyz ├── HR46_chlorine1-.xyz ├── HR46_chlorobenzene.xyz ├── HR46_chlorobenzene0+.xyz ├── HR46_chlorobenzene0-.xyz ├── HR46_chlorobenzene1+.xyz ├── HR46_chlorobenzene1-.xyz ├── HR46_chlorobenzene2+.xyz ├── HR46_chlorobenzene2-.xyz ├── HR46_cytosine.xyz ├── HR46_cytosine0+.xyz ├── HR46_cytosine0-.xyz ├── HR46_cytosine1+.xyz ├── HR46_cytosine1-.xyz ├── HR46_cytosine2+.xyz ├── HR46_cytosine2-.xyz ├── HR46_dimethyl_amine.xyz ├── HR46_dimethyl_amine0+.xyz ├── HR46_dimethyl_amine0-.xyz ├── HR46_dimethyl_amine1+.xyz ├── HR46_dimethyl_amine1-.xyz ├── HR46_dimethyl_amine2+.xyz ├── HR46_dimethyl_amine2-.xyz ├── HR46_dimethyl_ether.xyz ├── HR46_dimethyl_ether0+.xyz ├── HR46_dimethyl_ether0-.xyz ├── HR46_dimethyl_ether1+.xyz ├── HR46_dimethyl_ether1-.xyz ├── HR46_dimethyl_ether2+.xyz ├── HR46_dimethyl_ether2-.xyz ├── HR46_dimethyl_sulfide.xyz ├── HR46_dimethyl_sulfide0+.xyz ├── HR46_dimethyl_sulfide0-.xyz ├── HR46_dimethyl_sulfide1+.xyz ├── HR46_dimethyl_sulfide1-.xyz ├── HR46_dimethyl_sulfide2+.xyz ├── HR46_dimethyl_sulfide2-.xyz ├── HR46_dimethyl_sulfone.xyz ├── HR46_dimethyl_sulfone0+.xyz ├── HR46_dimethyl_sulfone0-.xyz ├── HR46_dimethyl_sulfone1+.xyz ├── HR46_dimethyl_sulfone1-.xyz ├── HR46_dimethyl_sulfone2+.xyz ├── HR46_dimethyl_sulfone2-.xyz ├── HR46_ethanol.xyz ├── HR46_ethanol0+.xyz ├── HR46_ethanol0-.xyz ├── HR46_ethanol1+.xyz ├── HR46_ethanol1-.xyz ├── HR46_ethanol2+.xyz ├── HR46_ethanol2-.xyz ├── HR46_ethene.xyz ├── HR46_ethene0+.xyz ├── HR46_ethene0-.xyz ├── HR46_ethene1+.xyz ├── HR46_ethene1-.xyz ├── HR46_ethene2+.xyz ├── HR46_ethene2-.xyz ├── HR46_fluorobenzene.xyz ├── HR46_fluorobenzene0+.xyz ├── HR46_fluorobenzene0-.xyz ├── HR46_fluorobenzene1+.xyz ├── HR46_fluorobenzene1-.xyz ├── HR46_fluorobenzene2+.xyz ├── HR46_fluorobenzene2-.xyz ├── HR46_fluoromethane.xyz ├── HR46_fluoromethane0+.xyz ├── HR46_fluoromethane0-.xyz ├── HR46_fluoromethane1+.xyz ├── HR46_fluoromethane1-.xyz ├── HR46_furan.xyz ├── HR46_furan0+.xyz ├── HR46_furan0-.xyz ├── HR46_furan1+.xyz ├── HR46_furan1-.xyz ├── HR46_furan2+.xyz ├── HR46_furan2-.xyz ├── HR46_hydrogen_sulfide.xyz ├── HR46_hydrogen_sulfide0+.xyz ├── HR46_hydrogen_sulfide0-.xyz ├── HR46_hydrogen_sulfide1+.xyz ├── HR46_hydrogen_sulfide1-.xyz ├── HR46_hydrogen_sulfide2+.xyz ├── HR46_hydrogen_sulfide2-.xyz ├── HR46_imidazole.xyz ├── HR46_imidazole0+.xyz ├── HR46_imidazole0-.xyz ├── HR46_imidazole1+.xyz ├── HR46_imidazole1-.xyz ├── HR46_imidazole2+.xyz ├── HR46_imidazole2-.xyz ├── HR46_isobutene.xyz ├── HR46_isobutene0+.xyz ├── HR46_isobutene0-.xyz ├── HR46_isobutene1+.xyz ├── HR46_isobutene1-.xyz ├── HR46_isobutene2+.xyz ├── HR46_isobutene2-.xyz ├── HR46_methanol.xyz ├── HR46_methanol0+.xyz ├── HR46_methanol0-.xyz ├── HR46_methanol1+.xyz ├── HR46_methanol1-.xyz ├── HR46_methanol2+.xyz ├── HR46_methanol2-.xyz ├── HR46_methylacetate.xyz ├── HR46_methylacetate0+.xyz ├── HR46_methylacetate0-.xyz ├── HR46_methylacetate1+.xyz ├── HR46_methylacetate1-.xyz ├── HR46_methylacetate2+.xyz ├── HR46_methylacetate2-.xyz ├── HR46_methylformate.xyz ├── HR46_methylformate0+.xyz ├── HR46_methylformate0-.xyz ├── HR46_methylformate1+.xyz ├── HR46_methylformate1-.xyz ├── HR46_methylformate2+.xyz ├── HR46_methylformate2-.xyz ├── HR46_nitrogen.xyz ├── HR46_nitrogen0+.xyz ├── HR46_nitrogen0-.xyz ├── HR46_nitrogen1+.xyz ├── HR46_nitrogen1-.xyz ├── HR46_nitrogen_monoxide.xyz ├── HR46_nitrogen_monoxide0+.xyz ├── HR46_nitrogen_monoxide0-.xyz ├── HR46_nitrogen_monoxide2+.xyz ├── HR46_nitrogen_monoxide2-.xyz ├── HR46_oxygen.xyz ├── HR46_oxygen0+.xyz ├── HR46_oxygen0-.xyz ├── HR46_oxygen1+.xyz ├── HR46_oxygen1-.xyz ├── HR46_phenol.xyz ├── HR46_phenol0+.xyz ├── HR46_phenol0-.xyz ├── HR46_phenol1+.xyz ├── HR46_phenol1-.xyz ├── HR46_phenol2+.xyz ├── HR46_phenol2-.xyz ├── HR46_phosphine.xyz ├── HR46_phosphine0+.xyz ├── HR46_phosphine0-.xyz ├── HR46_phosphine1+.xyz ├── HR46_phosphine1-.xyz ├── HR46_phosphine2+.xyz ├── HR46_phosphine2-.xyz ├── HR46_propane.xyz ├── HR46_propane0+.xyz ├── HR46_propane0-.xyz ├── HR46_propane1+.xyz ├── HR46_propane1-.xyz ├── HR46_propane2+.xyz ├── HR46_propane2-.xyz ├── HR46_pyrazole.xyz ├── HR46_pyrazole0+.xyz ├── HR46_pyrazole0-.xyz ├── HR46_pyrazole1+.xyz ├── HR46_pyrazole1-.xyz ├── HR46_pyrazole2+.xyz ├── HR46_pyrazole2-.xyz ├── HR46_pyridine.xyz ├── HR46_pyridine0+.xyz ├── HR46_pyridine0-.xyz ├── HR46_pyridine1+.xyz ├── HR46_pyridine1-.xyz ├── HR46_pyridine2+.xyz ├── HR46_pyridine2-.xyz ├── HR46_pyrrole.xyz ├── HR46_pyrrole0+.xyz ├── HR46_pyrrole0-.xyz ├── HR46_pyrrole1+.xyz ├── HR46_pyrrole1-.xyz ├── HR46_pyrrole2+.xyz ├── HR46_pyrrole2-.xyz ├── HR46_silane.xyz ├── HR46_silane0+.xyz ├── HR46_silane0-.xyz ├── HR46_silane1+.xyz ├── HR46_silane1-.xyz ├── HR46_sulfur_dioxide.xyz ├── HR46_sulfur_dioxide0+.xyz ├── HR46_sulfur_dioxide0-.xyz ├── HR46_sulfur_dioxide1+.xyz ├── HR46_sulfur_dioxide1-.xyz ├── HR46_sulfur_dioxide2+.xyz ├── HR46_sulfur_dioxide2-.xyz ├── HR46_sulfur_monoxide.xyz ├── HR46_sulfur_monoxide0+.xyz ├── HR46_sulfur_monoxide0-.xyz ├── HR46_sulfur_monoxide1+.xyz ├── HR46_sulfur_monoxide1-.xyz ├── HR46_thiophene.xyz ├── HR46_thiophene0+.xyz ├── HR46_thiophene0-.xyz ├── HR46_thiophene1+.xyz ├── HR46_thiophene1-.xyz ├── HR46_thiophene2+.xyz ├── HR46_thiophene2-.xyz ├── HR46_toluene.xyz ├── HR46_toluene0+.xyz ├── HR46_toluene0-.xyz ├── HR46_toluene1+.xyz ├── HR46_toluene1-.xyz ├── HR46_toluene2+.xyz ├── HR46_toluene2-.xyz ├── HR46_trimethyl_amine.xyz ├── HR46_trimethyl_amine0+.xyz ├── HR46_trimethyl_amine0-.xyz ├── HR46_trimethyl_amine1+.xyz ├── HR46_trimethyl_amine1-.xyz ├── HR46_trimethyl_amine2+.xyz ├── HR46_trimethyl_amine2-.xyz ├── HR46_water.xyz ├── HR46_water0+.xyz ├── HR46_water0-.xyz ├── HR46_water1+.xyz ├── HR46_water1-.xyz ├── HR46_water2+.xyz ├── HR46_water2-.xyz ├── He3_1.xyz ├── He3_10.xyz ├── He3_10_dim12.xyz ├── He3_10_dim23.xyz ├── He3_10_dim31.xyz ├── He3_11.xyz ├── He3_11_dim12.xyz ├── He3_11_dim23.xyz ├── He3_11_dim31.xyz ├── He3_12.xyz ├── He3_12_dim12.xyz ├── He3_12_dim23.xyz ├── He3_12_dim31.xyz ├── He3_13.xyz ├── He3_13_dim12.xyz ├── He3_13_dim23.xyz ├── He3_13_dim31.xyz ├── He3_14.xyz ├── He3_14_dim12.xyz ├── He3_14_dim23.xyz ├── He3_14_dim31.xyz ├── He3_15.xyz ├── He3_15_dim12.xyz ├── He3_15_dim23.xyz ├── He3_15_dim31.xyz ├── He3_16.xyz ├── He3_16_dim12.xyz ├── He3_16_dim23.xyz ├── He3_16_dim31.xyz ├── He3_17.xyz ├── He3_17_dim12.xyz ├── He3_17_dim23.xyz ├── He3_17_dim31.xyz ├── He3_18.xyz ├── He3_18_dim12.xyz ├── He3_18_dim23.xyz ├── He3_18_dim31.xyz ├── He3_19.xyz ├── He3_19_dim12.xyz ├── He3_19_dim23.xyz ├── He3_19_dim31.xyz ├── He3_1_dim12.xyz ├── He3_1_dim23.xyz ├── He3_1_dim31.xyz ├── He3_2.xyz ├── He3_20.xyz ├── He3_20_dim12.xyz ├── He3_20_dim23.xyz ├── He3_20_dim31.xyz ├── He3_21.xyz ├── He3_21_dim12.xyz ├── He3_21_dim23.xyz ├── He3_21_dim31.xyz ├── He3_22.xyz ├── He3_22_dim12.xyz ├── He3_22_dim23.xyz ├── He3_22_dim31.xyz ├── He3_23.xyz ├── He3_23_dim12.xyz ├── He3_23_dim23.xyz ├── He3_23_dim31.xyz ├── He3_24.xyz ├── He3_24_dim12.xyz ├── He3_24_dim23.xyz ├── He3_24_dim31.xyz ├── He3_25.xyz ├── He3_25_dim12.xyz ├── He3_25_dim23.xyz ├── He3_25_dim31.xyz ├── He3_26.xyz ├── He3_26_dim12.xyz ├── He3_26_dim23.xyz ├── He3_26_dim31.xyz ├── He3_27.xyz ├── He3_27_dim12.xyz ├── He3_27_dim23.xyz ├── He3_27_dim31.xyz ├── He3_28.xyz ├── He3_28_dim12.xyz ├── He3_28_dim23.xyz ├── He3_28_dim31.xyz ├── He3_29.xyz ├── He3_29_dim12.xyz ├── He3_29_dim23.xyz ├── He3_29_dim31.xyz ├── He3_2_dim12.xyz ├── He3_2_dim23.xyz ├── He3_2_dim31.xyz ├── He3_3.xyz ├── He3_30.xyz ├── He3_30_dim12.xyz ├── He3_30_dim23.xyz ├── He3_30_dim31.xyz ├── He3_31.xyz ├── He3_31_dim12.xyz ├── He3_31_dim23.xyz ├── He3_31_dim31.xyz ├── He3_32.xyz ├── He3_32_dim12.xyz ├── He3_32_dim23.xyz ├── He3_32_dim31.xyz ├── He3_33.xyz ├── He3_33_dim12.xyz ├── He3_33_dim23.xyz ├── He3_33_dim31.xyz ├── He3_34.xyz ├── He3_34_dim12.xyz ├── He3_34_dim23.xyz ├── He3_34_dim31.xyz ├── He3_35.xyz ├── He3_35_dim12.xyz ├── He3_35_dim23.xyz ├── He3_35_dim31.xyz ├── He3_36.xyz ├── He3_36_dim12.xyz ├── He3_36_dim23.xyz ├── He3_36_dim31.xyz ├── He3_37.xyz ├── He3_37_dim12.xyz ├── He3_37_dim23.xyz ├── He3_37_dim31.xyz ├── He3_38.xyz ├── He3_38_dim12.xyz ├── He3_38_dim23.xyz ├── He3_38_dim31.xyz ├── He3_39.xyz ├── He3_39_dim12.xyz ├── He3_39_dim23.xyz ├── He3_39_dim31.xyz ├── He3_3_dim12.xyz ├── He3_3_dim23.xyz ├── He3_3_dim31.xyz ├── He3_4.xyz ├── He3_40.xyz ├── He3_40_dim12.xyz ├── He3_40_dim23.xyz ├── He3_40_dim31.xyz ├── He3_41.xyz ├── He3_41_dim12.xyz ├── He3_41_dim23.xyz ├── He3_41_dim31.xyz ├── He3_42.xyz ├── He3_42_dim12.xyz ├── He3_42_dim23.xyz ├── He3_42_dim31.xyz ├── He3_43.xyz ├── He3_43_dim12.xyz ├── He3_43_dim23.xyz ├── He3_43_dim31.xyz ├── He3_44.xyz ├── He3_44_dim12.xyz ├── He3_44_dim23.xyz ├── He3_44_dim31.xyz ├── He3_45.xyz ├── He3_45_dim12.xyz ├── He3_45_dim23.xyz ├── He3_45_dim31.xyz ├── He3_46.xyz ├── He3_46_dim12.xyz ├── He3_46_dim23.xyz ├── He3_46_dim31.xyz ├── He3_47.xyz ├── He3_47_dim12.xyz ├── He3_47_dim23.xyz ├── He3_47_dim31.xyz ├── He3_48.xyz ├── He3_48_dim12.xyz ├── He3_48_dim23.xyz ├── He3_48_dim31.xyz ├── He3_49.xyz ├── He3_49_dim12.xyz ├── He3_49_dim23.xyz ├── He3_49_dim31.xyz ├── He3_4_dim12.xyz ├── He3_4_dim23.xyz ├── He3_4_dim31.xyz ├── He3_5.xyz ├── He3_5_dim12.xyz ├── He3_5_dim23.xyz ├── He3_5_dim31.xyz ├── He3_6.xyz ├── He3_6_dim12.xyz ├── He3_6_dim23.xyz ├── He3_6_dim31.xyz ├── He3_7.xyz ├── He3_7_dim12.xyz ├── He3_7_dim23.xyz ├── He3_7_dim31.xyz ├── He3_8.xyz ├── He3_8_dim12.xyz ├── He3_8_dim23.xyz ├── He3_8_dim31.xyz ├── He3_9.xyz ├── He3_9_dim12.xyz ├── He3_9_dim23.xyz ├── He3_9_dim31.xyz ├── He3_He.xyz ├── ICONF_H2S2O7_1.xyz ├── ICONF_H2S2O7_2.xyz ├── ICONF_H2S2O7_3.xyz ├── ICONF_H4P2O7_1.xyz ├── ICONF_H4P2O7_2.xyz ├── ICONF_H4P2O7_3.xyz ├── ICONF_H4P2O7_4.xyz ├── ICONF_N3H5_1.xyz ├── ICONF_N3H5_2.xyz ├── ICONF_N3H5_3.xyz ├── ICONF_N3P3H12_1.xyz ├── ICONF_N3P3H12_2.xyz ├── ICONF_N4H6_1.xyz ├── ICONF_N4H6_2.xyz ├── ICONF_N4H6_3.xyz ├── ICONF_P7H7_1.xyz ├── ICONF_P7H7_2.xyz ├── ICONF_S4O4_1.xyz ├── ICONF_S4O4_2.xyz ├── ICONF_S8_1.xyz ├── ICONF_S8_2.xyz ├── ICONF_SI5H12_1.xyz ├── ICONF_SI5H12_2.xyz ├── ICONF_SI5H12_3.xyz ├── ICONF_SI5H12_4.xyz ├── ICONF_SI6H12_1.xyz ├── ICONF_SI6H12_2.xyz ├── IDISP_F14f.xyz ├── IDISP_F14l.xyz ├── IDISP_F22f.xyz ├── IDISP_F22l.xyz ├── IDISP_ant.xyz ├── IDISP_antdimer.xyz ├── IDISP_h2.xyz ├── IDISP_octane1.xyz ├── IDISP_octane2.xyz ├── IDISP_pc22.xyz ├── IDISP_pxylene.xyz ├── IDISP_undecan1.xyz ├── IDISP_undecan2.xyz ├── IHB100x10_01.001_OHk-O__oxonium--methylcyanate_080.xyz ├── IHB100x10_01.001_OHk-O__oxonium--methylcyanate_100.xyz ├── IHB100x10_01.001_OHk-O__oxonium--methylcyanate_150.xyz ├── IHB100x10_01.001_OHk-O__oxonium--methylcyanate_monA.xyz ├── IHB100x10_01.001_OHk-O__oxonium--methylcyanate_monB.xyz ├── IHB100x10_02.001_NHk-O__ammonium--acetaldehyde_080.xyz ├── IHB100x10_02.001_NHk-O__ammonium--acetaldehyde_100.xyz ├── IHB100x10_02.001_NHk-O__ammonium--acetaldehyde_150.xyz ├── IHB100x10_02.001_NHk-O__ammonium--acetaldehyde_monA.xyz ├── IHB100x10_02.001_NHk-O__ammonium--acetaldehyde_monB.xyz ├── IHB100x10_02.002_NHk-O__ammonium--dimethylcarbonate_080.xyz ├── IHB100x10_02.002_NHk-O__ammonium--dimethylcarbonate_100.xyz ├── IHB100x10_02.002_NHk-O__ammonium--dimethylcarbonate_150.xyz ├── IHB100x10_02.002_NHk-O__ammonium--dimethylcarbonate_monA.xyz ├── IHB100x10_02.002_NHk-O__ammonium--dimethylcarbonate_monB.xyz ├── IHB100x10_02.003_NHk-O__ammonium--dimethylether_080.xyz ├── IHB100x10_02.003_NHk-O__ammonium--dimethylether_100.xyz ├── IHB100x10_02.003_NHk-O__ammonium--dimethylether_150.xyz ├── IHB100x10_02.003_NHk-O__ammonium--dimethylether_monA.xyz ├── IHB100x10_02.003_NHk-O__ammonium--dimethylether_monB.xyz ├── IHB100x10_02.004_NHk-O__ammonium--nitromethane_080.xyz ├── IHB100x10_02.004_NHk-O__ammonium--nitromethane_100.xyz ├── IHB100x10_02.004_NHk-O__ammonium--nitromethane_150.xyz ├── IHB100x10_02.004_NHk-O__ammonium--nitromethane_monA.xyz ├── IHB100x10_02.004_NHk-O__ammonium--nitromethane_monB.xyz ├── IHB100x10_02.005_NHk-O__guanidinium--nitrosomethane_080.xyz ├── IHB100x10_02.005_NHk-O__guanidinium--nitrosomethane_100.xyz ├── IHB100x10_02.005_NHk-O__guanidinium--nitrosomethane_150.xyz ├── IHB100x10_02.005_NHk-O__guanidinium--nitrosomethane_monA.xyz ├── IHB100x10_02.005_NHk-O__guanidinium--nitrosomethane_monB.xyz ├── IHB100x10_02.006_NHk-O__imidazolium--acetone_080.xyz ├── IHB100x10_02.006_NHk-O__imidazolium--acetone_100.xyz ├── IHB100x10_02.006_NHk-O__imidazolium--acetone_150.xyz ├── IHB100x10_02.006_NHk-O__imidazolium--acetone_monA.xyz ├── IHB100x10_02.006_NHk-O__imidazolium--acetone_monB.xyz ├── IHB100x10_02.007_NHk-O__imidazolium--Nmethylacetamide_080.xyz ├── IHB100x10_02.007_NHk-O__imidazolium--Nmethylacetamide_100.xyz ├── IHB100x10_02.007_NHk-O__imidazolium--Nmethylacetamide_150.xyz ├── IHB100x10_02.007_NHk-O__imidazolium--Nmethylacetamide_monA.xyz ├── IHB100x10_02.007_NHk-O__imidazolium--Nmethylacetamide_monB.xyz ├── IHB100x10_02.008_NHk-O__imidazolium--phenol_080.xyz ├── IHB100x10_02.008_NHk-O__imidazolium--phenol_100.xyz ├── IHB100x10_02.008_NHk-O__imidazolium--phenol_150.xyz ├── IHB100x10_02.008_NHk-O__imidazolium--phenol_monA.xyz ├── IHB100x10_02.008_NHk-O__imidazolium--phenol_monB.xyz ├── IHB100x10_02.009_NHk-O__trimethylammonium--acetaldehyde_080.xyz ├── IHB100x10_02.009_NHk-O__trimethylammonium--acetaldehyde_100.xyz ├── IHB100x10_02.009_NHk-O__trimethylammonium--acetaldehyde_150.xyz ├── IHB100x10_02.009_NHk-O__trimethylammonium--acetaldehyde_monA.xyz ├── IHB100x10_02.009_NHk-O__trimethylammonium--acetaldehyde_monB.xyz ├── IHB100x10_02.010_NHk-O__trimethylammonium--acetamide_080.xyz ├── IHB100x10_02.010_NHk-O__trimethylammonium--acetamide_100.xyz ├── IHB100x10_02.010_NHk-O__trimethylammonium--acetamide_150.xyz ├── IHB100x10_02.010_NHk-O__trimethylammonium--acetamide_monA.xyz ├── IHB100x10_02.010_NHk-O__trimethylammonium--acetamide_monB.xyz ├── IHB100x10_02.011_NHk-O__trimethylammonium--aceticacid_080.xyz ├── IHB100x10_02.011_NHk-O__trimethylammonium--aceticacid_100.xyz ├── IHB100x10_02.011_NHk-O__trimethylammonium--aceticacid_150.xyz ├── IHB100x10_02.011_NHk-O__trimethylammonium--aceticacid_monA.xyz ├── IHB100x10_02.011_NHk-O__trimethylammonium--aceticacid_monB.xyz ├── IHB100x10_02.012_NHk-O__trimethylammonium--nitrosomethane_080.xyz ├── IHB100x10_02.012_NHk-O__trimethylammonium--nitrosomethane_100.xyz ├── IHB100x10_02.012_NHk-O__trimethylammonium--nitrosomethane_150.xyz ├── IHB100x10_02.012_NHk-O__trimethylammonium--nitrosomethane_monA.xyz ├── IHB100x10_02.012_NHk-O__trimethylammonium--nitrosomethane_monB.xyz ├── IHB100x10_02.013_NHk-O__guanidinium--acetamide_080.xyz ├── IHB100x10_02.013_NHk-O__guanidinium--acetamide_100.xyz ├── IHB100x10_02.013_NHk-O__guanidinium--acetamide_150.xyz ├── IHB100x10_02.013_NHk-O__guanidinium--acetamide_monA.xyz ├── IHB100x10_02.013_NHk-O__guanidinium--acetamide_monB.xyz ├── IHB100x10_02.014_NHk-O__guanidinium--furan_080.xyz ├── IHB100x10_02.014_NHk-O__guanidinium--furan_100.xyz ├── IHB100x10_02.014_NHk-O__guanidinium--furan_150.xyz ├── IHB100x10_02.014_NHk-O__guanidinium--furan_monA.xyz ├── IHB100x10_02.014_NHk-O__guanidinium--furan_monB.xyz ├── IHB100x10_02.015_NHk-O__guanidinium--nitromethane_080.xyz ├── IHB100x10_02.015_NHk-O__guanidinium--nitromethane_100.xyz ├── IHB100x10_02.015_NHk-O__guanidinium--nitromethane_150.xyz ├── IHB100x10_02.015_NHk-O__guanidinium--nitromethane_monA.xyz ├── IHB100x10_02.015_NHk-O__guanidinium--nitromethane_monB.xyz ├── IHB100x10_03.001_NHk-N__ammonium--methylazide_080.xyz ├── IHB100x10_03.001_NHk-N__ammonium--methylazide_100.xyz ├── IHB100x10_03.001_NHk-N__ammonium--methylazide_150.xyz ├── IHB100x10_03.001_NHk-N__ammonium--methylazide_monA.xyz ├── IHB100x10_03.001_NHk-N__ammonium--methylazide_monB.xyz ├── IHB100x10_03.002_NHk-N__ammonium--methylcyanate_080.xyz ├── IHB100x10_03.002_NHk-N__ammonium--methylcyanate_100.xyz ├── IHB100x10_03.002_NHk-N__ammonium--methylcyanate_150.xyz ├── IHB100x10_03.002_NHk-N__ammonium--methylcyanate_monA.xyz ├── IHB100x10_03.002_NHk-N__ammonium--methylcyanate_monB.xyz ├── IHB100x10_03.003_NHk-N__guanidinium--ammonia_080.xyz ├── IHB100x10_03.003_NHk-N__guanidinium--ammonia_100.xyz ├── IHB100x10_03.003_NHk-N__guanidinium--ammonia_150.xyz ├── IHB100x10_03.003_NHk-N__guanidinium--ammonia_monA.xyz ├── IHB100x10_03.003_NHk-N__guanidinium--ammonia_monB.xyz ├── IHB100x10_03.004_NHk-N__guanidinium--dimethyldiazene_080.xyz ├── IHB100x10_03.004_NHk-N__guanidinium--dimethyldiazene_100.xyz ├── IHB100x10_03.004_NHk-N__guanidinium--dimethyldiazene_150.xyz ├── IHB100x10_03.004_NHk-N__guanidinium--dimethyldiazene_monA.xyz ├── IHB100x10_03.004_NHk-N__guanidinium--dimethyldiazene_monB.xyz ├── IHB100x10_03.005_NHk-N__imidazolium--acetonitrile_080.xyz ├── IHB100x10_03.005_NHk-N__imidazolium--acetonitrile_100.xyz ├── IHB100x10_03.005_NHk-N__imidazolium--acetonitrile_150.xyz ├── IHB100x10_03.005_NHk-N__imidazolium--acetonitrile_monA.xyz ├── IHB100x10_03.005_NHk-N__imidazolium--acetonitrile_monB.xyz ├── IHB100x10_03.006_NHk-N__imidazolium--aniline_080.xyz ├── IHB100x10_03.006_NHk-N__imidazolium--aniline_100.xyz ├── IHB100x10_03.006_NHk-N__imidazolium--aniline_150.xyz ├── IHB100x10_03.006_NHk-N__imidazolium--aniline_monA.xyz ├── IHB100x10_03.006_NHk-N__imidazolium--aniline_monB.xyz ├── IHB100x10_03.007_NHk-N__trimethylammonium--acetonitrile_080.xyz ├── IHB100x10_03.007_NHk-N__trimethylammonium--acetonitrile_100.xyz ├── IHB100x10_03.007_NHk-N__trimethylammonium--acetonitrile_150.xyz ├── IHB100x10_03.007_NHk-N__trimethylammonium--acetonitrile_monA.xyz ├── IHB100x10_03.007_NHk-N__trimethylammonium--acetonitrile_monB.xyz ├── IHB100x10_03.008_NHk-N__trimethylammonium--ammonia_080.xyz ├── IHB100x10_03.008_NHk-N__trimethylammonium--ammonia_100.xyz ├── IHB100x10_03.008_NHk-N__trimethylammonium--ammonia_150.xyz ├── IHB100x10_03.008_NHk-N__trimethylammonium--ammonia_monA.xyz ├── IHB100x10_03.008_NHk-N__trimethylammonium--ammonia_monB.xyz ├── IHB100x10_03.009_NHk-N__trimethylammonium--dimethylamine_080.xyz ├── IHB100x10_03.009_NHk-N__trimethylammonium--dimethylamine_100.xyz ├── IHB100x10_03.009_NHk-N__trimethylammonium--dimethylamine_150.xyz ├── IHB100x10_03.009_NHk-N__trimethylammonium--dimethylamine_monA.xyz ├── IHB100x10_03.009_NHk-N__trimethylammonium--dimethylamine_monB.xyz ├── IHB100x10_03.010_NHk-N__trimethylammonium--dimethyldiazene_080.xyz ├── IHB100x10_03.010_NHk-N__trimethylammonium--dimethyldiazene_100.xyz ├── IHB100x10_03.010_NHk-N__trimethylammonium--dimethyldiazene_150.xyz ├── IHB100x10_03.010_NHk-N__trimethylammonium--dimethyldiazene_monA.xyz ├── IHB100x10_03.010_NHk-N__trimethylammonium--dimethyldiazene_monB.xyz ├── IHB100x10_03.011_NHk-N__trimethylammonium--methylamine_080.xyz ├── IHB100x10_03.011_NHk-N__trimethylammonium--methylamine_100.xyz ├── IHB100x10_03.011_NHk-N__trimethylammonium--methylamine_150.xyz ├── IHB100x10_03.011_NHk-N__trimethylammonium--methylamine_monA.xyz ├── IHB100x10_03.011_NHk-N__trimethylammonium--methylamine_monB.xyz ├── IHB100x10_03.012_NHk-N__trimethylammonium--methylazide_080.xyz ├── IHB100x10_03.012_NHk-N__trimethylammonium--methylazide_100.xyz ├── IHB100x10_03.012_NHk-N__trimethylammonium--methylazide_150.xyz ├── IHB100x10_03.012_NHk-N__trimethylammonium--methylazide_monA.xyz ├── IHB100x10_03.012_NHk-N__trimethylammonium--methylazide_monB.xyz ├── IHB100x10_03.013_NHk-N__trimethylammonium--trimethylamine_080.xyz ├── IHB100x10_03.013_NHk-N__trimethylammonium--trimethylamine_100.xyz ├── IHB100x10_03.013_NHk-N__trimethylammonium--trimethylamine_150.xyz ├── IHB100x10_03.013_NHk-N__trimethylammonium--trimethylamine_monA.xyz ├── IHB100x10_03.013_NHk-N__trimethylammonium--trimethylamine_monB.xyz ├── IHB100x10_03.014_NHk-N__guanidinium--methylcyanate_080.xyz ├── IHB100x10_03.014_NHk-N__guanidinium--methylcyanate_100.xyz ├── IHB100x10_03.014_NHk-N__guanidinium--methylcyanate_150.xyz ├── IHB100x10_03.014_NHk-N__guanidinium--methylcyanate_monA.xyz ├── IHB100x10_03.014_NHk-N__guanidinium--methylcyanate_monB.xyz ├── IHB100x10_03.015_NHk-N__guanidinium--Nmethyl2propanimine_080.xyz ├── IHB100x10_03.015_NHk-N__guanidinium--Nmethyl2propanimine_100.xyz ├── IHB100x10_03.015_NHk-N__guanidinium--Nmethyl2propanimine_150.xyz ├── IHB100x10_03.015_NHk-N__guanidinium--Nmethyl2propanimine_monA.xyz ├── IHB100x10_03.015_NHk-N__guanidinium--Nmethyl2propanimine_monB.xyz ├── IHB100x10_04.001_NHk-C__ammonium--methylisocyanide_080.xyz ├── IHB100x10_04.001_NHk-C__ammonium--methylisocyanide_100.xyz ├── IHB100x10_04.001_NHk-C__ammonium--methylisocyanide_150.xyz ├── IHB100x10_04.001_NHk-C__ammonium--methylisocyanide_monA.xyz ├── IHB100x10_04.001_NHk-C__ammonium--methylisocyanide_monB.xyz ├── IHB100x10_04.002_NHk-C__imidazolium--methylisocyanide_080.xyz ├── IHB100x10_04.002_NHk-C__imidazolium--methylisocyanide_100.xyz ├── IHB100x10_04.002_NHk-C__imidazolium--methylisocyanide_150.xyz ├── IHB100x10_04.002_NHk-C__imidazolium--methylisocyanide_monA.xyz ├── IHB100x10_04.002_NHk-C__imidazolium--methylisocyanide_monB.xyz ├── IHB100x10_04.003_NHk-C__trimethylammonium--methylisocyanide_080.xyz ├── IHB100x10_04.003_NHk-C__trimethylammonium--methylisocyanide_100.xyz ├── IHB100x10_04.003_NHk-C__trimethylammonium--methylisocyanide_150.xyz ├── IHB100x10_04.003_NHk-C__trimethylammonium--methylisocyanide_monA.xyz ├── IHB100x10_04.003_NHk-C__trimethylammonium--methylisocyanide_monB.xyz ├── IHB100x10_04.004_NHk-C__guanidinium--methylisocyanide_080.xyz ├── IHB100x10_04.004_NHk-C__guanidinium--methylisocyanide_100.xyz ├── IHB100x10_04.004_NHk-C__guanidinium--methylisocyanide_150.xyz ├── IHB100x10_04.004_NHk-C__guanidinium--methylisocyanide_monA.xyz ├── IHB100x10_04.004_NHk-C__guanidinium--methylisocyanide_monB.xyz ├── IHB100x10_05.001_OH-Oa__water--oxalate_080.xyz ├── IHB100x10_05.001_OH-Oa__water--oxalate_100.xyz ├── IHB100x10_05.001_OH-Oa__water--oxalate_150.xyz ├── IHB100x10_05.001_OH-Oa__water--oxalate_monA.xyz ├── IHB100x10_05.001_OH-Oa__water--oxalate_monB.xyz ├── IHB100x10_05.002_OH-Oa__aceticacid--benzoate_080.xyz ├── IHB100x10_05.002_OH-Oa__aceticacid--benzoate_100.xyz ├── IHB100x10_05.002_OH-Oa__aceticacid--benzoate_150.xyz ├── IHB100x10_05.002_OH-Oa__aceticacid--benzoate_monA.xyz ├── IHB100x10_05.002_OH-Oa__aceticacid--benzoate_monB.xyz ├── IHB100x10_05.003_OH-Oa__aceticacid--nitrite_080.xyz ├── IHB100x10_05.003_OH-Oa__aceticacid--nitrite_100.xyz ├── IHB100x10_05.003_OH-Oa__aceticacid--nitrite_150.xyz ├── IHB100x10_05.003_OH-Oa__aceticacid--nitrite_monA.xyz ├── IHB100x10_05.003_OH-Oa__aceticacid--nitrite_monB.xyz ├── IHB100x10_05.004_OH-Oa__methanol--acetate_080.xyz ├── IHB100x10_05.004_OH-Oa__methanol--acetate_100.xyz ├── IHB100x10_05.004_OH-Oa__methanol--acetate_150.xyz ├── IHB100x10_05.004_OH-Oa__methanol--acetate_monA.xyz ├── IHB100x10_05.004_OH-Oa__methanol--acetate_monB.xyz ├── IHB100x10_05.005_OH-Oa__methanol--benzoate_080.xyz ├── IHB100x10_05.005_OH-Oa__methanol--benzoate_100.xyz ├── IHB100x10_05.005_OH-Oa__methanol--benzoate_150.xyz ├── IHB100x10_05.005_OH-Oa__methanol--benzoate_monA.xyz ├── IHB100x10_05.005_OH-Oa__methanol--benzoate_monB.xyz ├── IHB100x10_05.006_OH-Oa__methanol--nitrate_080.xyz ├── IHB100x10_05.006_OH-Oa__methanol--nitrate_100.xyz ├── IHB100x10_05.006_OH-Oa__methanol--nitrate_150.xyz ├── IHB100x10_05.006_OH-Oa__methanol--nitrate_monA.xyz ├── IHB100x10_05.006_OH-Oa__methanol--nitrate_monB.xyz ├── IHB100x10_05.007_OH-Oa__methanol--nitrite_080.xyz ├── IHB100x10_05.007_OH-Oa__methanol--nitrite_100.xyz ├── IHB100x10_05.007_OH-Oa__methanol--nitrite_150.xyz ├── IHB100x10_05.007_OH-Oa__methanol--nitrite_monA.xyz ├── IHB100x10_05.007_OH-Oa__methanol--nitrite_monB.xyz ├── IHB100x10_05.008_OH-Oa__phenol--acetate_080.xyz ├── IHB100x10_05.008_OH-Oa__phenol--acetate_100.xyz ├── IHB100x10_05.008_OH-Oa__phenol--acetate_150.xyz ├── IHB100x10_05.008_OH-Oa__phenol--acetate_monA.xyz ├── IHB100x10_05.008_OH-Oa__phenol--acetate_monB.xyz ├── IHB100x10_05.009_OH-Oa__phenol--benzoate_080.xyz ├── IHB100x10_05.009_OH-Oa__phenol--benzoate_100.xyz ├── IHB100x10_05.009_OH-Oa__phenol--benzoate_150.xyz ├── IHB100x10_05.009_OH-Oa__phenol--benzoate_monA.xyz ├── IHB100x10_05.009_OH-Oa__phenol--benzoate_monB.xyz ├── IHB100x10_05.010_OH-Oa__phenol--nitrate_080.xyz ├── IHB100x10_05.010_OH-Oa__phenol--nitrate_100.xyz ├── IHB100x10_05.010_OH-Oa__phenol--nitrate_150.xyz ├── IHB100x10_05.010_OH-Oa__phenol--nitrate_monA.xyz ├── IHB100x10_05.010_OH-Oa__phenol--nitrate_monB.xyz ├── IHB100x10_05.011_OH-Oa__phenol--nitrite_080.xyz ├── IHB100x10_05.011_OH-Oa__phenol--nitrite_100.xyz ├── IHB100x10_05.011_OH-Oa__phenol--nitrite_150.xyz ├── IHB100x10_05.011_OH-Oa__phenol--nitrite_monA.xyz ├── IHB100x10_05.011_OH-Oa__phenol--nitrite_monB.xyz ├── IHB100x10_05.012_OH-Oa__water--hydroxide_080.xyz ├── IHB100x10_05.012_OH-Oa__water--hydroxide_100.xyz ├── IHB100x10_05.012_OH-Oa__water--hydroxide_150.xyz ├── IHB100x10_05.012_OH-Oa__water--hydroxide_monA.xyz ├── IHB100x10_05.012_OH-Oa__water--hydroxide_monB.xyz ├── IHB100x10_05.013_OH-Oa__water--nitrate_080.xyz ├── IHB100x10_05.013_OH-Oa__water--nitrate_100.xyz ├── IHB100x10_05.013_OH-Oa__water--nitrate_150.xyz ├── IHB100x10_05.013_OH-Oa__water--nitrate_monA.xyz ├── IHB100x10_05.013_OH-Oa__water--nitrate_monB.xyz ├── IHB100x10_05.014_OH-Oa__water--nitrite_080.xyz ├── IHB100x10_05.014_OH-Oa__water--nitrite_100.xyz ├── IHB100x10_05.014_OH-Oa__water--nitrite_150.xyz ├── IHB100x10_05.014_OH-Oa__water--nitrite_monA.xyz ├── IHB100x10_05.014_OH-Oa__water--nitrite_monB.xyz ├── IHB100x10_05.015_OH-Oa__water--benzoate_080.xyz ├── IHB100x10_05.015_OH-Oa__water--benzoate_100.xyz ├── IHB100x10_05.015_OH-Oa__water--benzoate_150.xyz ├── IHB100x10_05.015_OH-Oa__water--benzoate_monA.xyz ├── IHB100x10_05.015_OH-Oa__water--benzoate_monB.xyz ├── IHB100x10_06.001_OH-Na__aceticacid--cyanide_080.xyz ├── IHB100x10_06.001_OH-Na__aceticacid--cyanide_100.xyz ├── IHB100x10_06.001_OH-Na__aceticacid--cyanide_150.xyz ├── IHB100x10_06.001_OH-Na__aceticacid--cyanide_monA.xyz ├── IHB100x10_06.001_OH-Na__aceticacid--cyanide_monB.xyz ├── IHB100x10_06.002_OH-Na__phenol--cyanide_080.xyz ├── IHB100x10_06.002_OH-Na__phenol--cyanide_100.xyz ├── IHB100x10_06.002_OH-Na__phenol--cyanide_150.xyz ├── IHB100x10_06.002_OH-Na__phenol--cyanide_monA.xyz ├── IHB100x10_06.002_OH-Na__phenol--cyanide_monB.xyz ├── IHB100x10_06.003_OH-Na__water--cyanide_080.xyz ├── IHB100x10_06.003_OH-Na__water--cyanide_100.xyz ├── IHB100x10_06.003_OH-Na__water--cyanide_150.xyz ├── IHB100x10_06.003_OH-Na__water--cyanide_monA.xyz ├── IHB100x10_06.003_OH-Na__water--cyanide_monB.xyz ├── IHB100x10_07.001_OH-Ca__methanol--cyanide_080.xyz ├── IHB100x10_07.001_OH-Ca__methanol--cyanide_100.xyz ├── IHB100x10_07.001_OH-Ca__methanol--cyanide_150.xyz ├── IHB100x10_07.001_OH-Ca__methanol--cyanide_monA.xyz ├── IHB100x10_07.001_OH-Ca__methanol--cyanide_monB.xyz ├── IHB100x10_07.002_OH-Ca__water--cyanide_080.xyz ├── IHB100x10_07.002_OH-Ca__water--cyanide_100.xyz ├── IHB100x10_07.002_OH-Ca__water--cyanide_150.xyz ├── IHB100x10_07.002_OH-Ca__water--cyanide_monA.xyz ├── IHB100x10_07.002_OH-Ca__water--cyanide_monB.xyz ├── IHB100x10_08.001_NH-Oa__ammonia--carbonate_080.xyz ├── IHB100x10_08.001_NH-Oa__ammonia--carbonate_100.xyz ├── IHB100x10_08.001_NH-Oa__ammonia--carbonate_150.xyz ├── IHB100x10_08.001_NH-Oa__ammonia--carbonate_monA.xyz ├── IHB100x10_08.001_NH-Oa__ammonia--carbonate_monB.xyz ├── IHB100x10_08.002_NH-Oa__ammonia--oxalate_080.xyz ├── IHB100x10_08.002_NH-Oa__ammonia--oxalate_100.xyz ├── IHB100x10_08.002_NH-Oa__ammonia--oxalate_150.xyz ├── IHB100x10_08.002_NH-Oa__ammonia--oxalate_monA.xyz ├── IHB100x10_08.002_NH-Oa__ammonia--oxalate_monB.xyz ├── IHB100x10_08.003_NH-Oa__1Hpyrrole--acetate_080.xyz ├── IHB100x10_08.003_NH-Oa__1Hpyrrole--acetate_100.xyz ├── IHB100x10_08.003_NH-Oa__1Hpyrrole--acetate_150.xyz ├── IHB100x10_08.003_NH-Oa__1Hpyrrole--acetate_monA.xyz ├── IHB100x10_08.003_NH-Oa__1Hpyrrole--acetate_monB.xyz ├── IHB100x10_08.004_NH-Oa__1Hpyrrole--benzoate_080.xyz ├── IHB100x10_08.004_NH-Oa__1Hpyrrole--benzoate_100.xyz ├── IHB100x10_08.004_NH-Oa__1Hpyrrole--benzoate_150.xyz ├── IHB100x10_08.004_NH-Oa__1Hpyrrole--benzoate_monA.xyz ├── IHB100x10_08.004_NH-Oa__1Hpyrrole--benzoate_monB.xyz ├── IHB100x10_08.005_NH-Oa__1Hpyrrole--nitrite_080.xyz ├── IHB100x10_08.005_NH-Oa__1Hpyrrole--nitrite_100.xyz ├── IHB100x10_08.005_NH-Oa__1Hpyrrole--nitrite_150.xyz ├── IHB100x10_08.005_NH-Oa__1Hpyrrole--nitrite_monA.xyz ├── IHB100x10_08.005_NH-Oa__1Hpyrrole--nitrite_monB.xyz ├── IHB100x10_08.006_NH-Oa__ammonia--acetate_080.xyz ├── IHB100x10_08.006_NH-Oa__ammonia--acetate_100.xyz ├── IHB100x10_08.006_NH-Oa__ammonia--acetate_150.xyz ├── IHB100x10_08.006_NH-Oa__ammonia--acetate_monA.xyz ├── IHB100x10_08.006_NH-Oa__ammonia--acetate_monB.xyz ├── IHB100x10_08.007_NH-Oa__ammonia--benzoate_080.xyz ├── IHB100x10_08.007_NH-Oa__ammonia--benzoate_100.xyz ├── IHB100x10_08.007_NH-Oa__ammonia--benzoate_150.xyz ├── IHB100x10_08.007_NH-Oa__ammonia--benzoate_monA.xyz ├── IHB100x10_08.007_NH-Oa__ammonia--benzoate_monB.xyz ├── IHB100x10_08.008_NH-Oa__aniline--benzoate_080.xyz ├── IHB100x10_08.008_NH-Oa__aniline--benzoate_100.xyz ├── IHB100x10_08.008_NH-Oa__aniline--benzoate_150.xyz ├── IHB100x10_08.008_NH-Oa__aniline--benzoate_monA.xyz ├── IHB100x10_08.008_NH-Oa__aniline--benzoate_monB.xyz ├── IHB100x10_08.009_NH-Oa__aniline--nitrite_080.xyz ├── IHB100x10_08.009_NH-Oa__aniline--nitrite_100.xyz ├── IHB100x10_08.009_NH-Oa__aniline--nitrite_150.xyz ├── IHB100x10_08.009_NH-Oa__aniline--nitrite_monA.xyz ├── IHB100x10_08.009_NH-Oa__aniline--nitrite_monB.xyz ├── IHB100x10_08.010_NH-Oa__dimethylamine--acetate_080.xyz ├── IHB100x10_08.010_NH-Oa__dimethylamine--acetate_100.xyz ├── IHB100x10_08.010_NH-Oa__dimethylamine--acetate_150.xyz ├── IHB100x10_08.010_NH-Oa__dimethylamine--acetate_monA.xyz ├── IHB100x10_08.010_NH-Oa__dimethylamine--acetate_monB.xyz ├── IHB100x10_08.011_NH-Oa__dimethylamine--hydroxide_080.xyz ├── IHB100x10_08.011_NH-Oa__dimethylamine--hydroxide_100.xyz ├── IHB100x10_08.011_NH-Oa__dimethylamine--hydroxide_150.xyz ├── IHB100x10_08.011_NH-Oa__dimethylamine--hydroxide_monA.xyz ├── IHB100x10_08.011_NH-Oa__dimethylamine--hydroxide_monB.xyz ├── IHB100x10_08.012_NH-Oa__methylamine--acetate_080.xyz ├── IHB100x10_08.012_NH-Oa__methylamine--acetate_100.xyz ├── IHB100x10_08.012_NH-Oa__methylamine--acetate_150.xyz ├── IHB100x10_08.012_NH-Oa__methylamine--acetate_monA.xyz ├── IHB100x10_08.012_NH-Oa__methylamine--acetate_monB.xyz ├── IHB100x10_08.013_NH-Oa__methylamine--benzoate_080.xyz ├── IHB100x10_08.013_NH-Oa__methylamine--benzoate_100.xyz ├── IHB100x10_08.013_NH-Oa__methylamine--benzoate_150.xyz ├── IHB100x10_08.013_NH-Oa__methylamine--benzoate_monA.xyz ├── IHB100x10_08.013_NH-Oa__methylamine--benzoate_monB.xyz ├── IHB100x10_08.014_NH-Oa__methylamine--nitrate_080.xyz ├── IHB100x10_08.014_NH-Oa__methylamine--nitrate_100.xyz ├── IHB100x10_08.014_NH-Oa__methylamine--nitrate_150.xyz ├── IHB100x10_08.014_NH-Oa__methylamine--nitrate_monA.xyz ├── IHB100x10_08.014_NH-Oa__methylamine--nitrate_monB.xyz ├── IHB100x10_08.015_NH-Oa__methylamine--nitrite_080.xyz ├── IHB100x10_08.015_NH-Oa__methylamine--nitrite_100.xyz ├── IHB100x10_08.015_NH-Oa__methylamine--nitrite_150.xyz ├── IHB100x10_08.015_NH-Oa__methylamine--nitrite_monA.xyz ├── IHB100x10_08.015_NH-Oa__methylamine--nitrite_monB.xyz ├── IHB100x10_09.001_NH-Na__1Hpyrrole--cyanide_080.xyz ├── IHB100x10_09.001_NH-Na__1Hpyrrole--cyanide_100.xyz ├── IHB100x10_09.001_NH-Na__1Hpyrrole--cyanide_150.xyz ├── IHB100x10_09.001_NH-Na__1Hpyrrole--cyanide_monA.xyz ├── IHB100x10_09.001_NH-Na__1Hpyrrole--cyanide_monB.xyz ├── IHB100x10_09.002_NH-Na__ammonia--cyanide_080.xyz ├── IHB100x10_09.002_NH-Na__ammonia--cyanide_100.xyz ├── IHB100x10_09.002_NH-Na__ammonia--cyanide_150.xyz ├── IHB100x10_09.002_NH-Na__ammonia--cyanide_monA.xyz ├── IHB100x10_09.002_NH-Na__ammonia--cyanide_monB.xyz ├── IHB100x10_09.003_NH-Na__aniline--cyanide_080.xyz ├── IHB100x10_09.003_NH-Na__aniline--cyanide_100.xyz ├── IHB100x10_09.003_NH-Na__aniline--cyanide_150.xyz ├── IHB100x10_09.003_NH-Na__aniline--cyanide_monA.xyz ├── IHB100x10_09.003_NH-Na__aniline--cyanide_monB.xyz ├── IHB100x10_09.004_NH-Na__dimethylamine--cyanide_080.xyz ├── IHB100x10_09.004_NH-Na__dimethylamine--cyanide_100.xyz ├── IHB100x10_09.004_NH-Na__dimethylamine--cyanide_150.xyz ├── IHB100x10_09.004_NH-Na__dimethylamine--cyanide_monA.xyz ├── IHB100x10_09.004_NH-Na__dimethylamine--cyanide_monB.xyz ├── IHB100x10_09.005_NH-Na__methylamine--cyanide_080.xyz ├── IHB100x10_09.005_NH-Na__methylamine--cyanide_100.xyz ├── IHB100x10_09.005_NH-Na__methylamine--cyanide_150.xyz ├── IHB100x10_09.005_NH-Na__methylamine--cyanide_monA.xyz ├── IHB100x10_09.005_NH-Na__methylamine--cyanide_monB.xyz ├── IHB100x10_09.006_NH-Na__Nmethylacetamide--cyanide_080.xyz ├── IHB100x10_09.006_NH-Na__Nmethylacetamide--cyanide_100.xyz ├── IHB100x10_09.006_NH-Na__Nmethylacetamide--cyanide_150.xyz ├── IHB100x10_09.006_NH-Na__Nmethylacetamide--cyanide_monA.xyz ├── IHB100x10_09.006_NH-Na__Nmethylacetamide--cyanide_monB.xyz ├── IHB100x10_10.001_NH-Ca__ammonia--cyanide_080.xyz ├── IHB100x10_10.001_NH-Ca__ammonia--cyanide_100.xyz ├── IHB100x10_10.001_NH-Ca__ammonia--cyanide_150.xyz ├── IHB100x10_10.001_NH-Ca__ammonia--cyanide_monA.xyz ├── IHB100x10_10.001_NH-Ca__ammonia--cyanide_monB.xyz ├── IHB100x10_10.002_NH-Ca__aniline--cyanide_080.xyz ├── IHB100x10_10.002_NH-Ca__aniline--cyanide_100.xyz ├── IHB100x10_10.002_NH-Ca__aniline--cyanide_150.xyz ├── IHB100x10_10.002_NH-Ca__aniline--cyanide_monA.xyz ├── IHB100x10_10.002_NH-Ca__aniline--cyanide_monB.xyz ├── IHB100x10_10.003_NH-Ca__dimethylamine--cyanide_080.xyz ├── IHB100x10_10.003_NH-Ca__dimethylamine--cyanide_100.xyz ├── IHB100x10_10.003_NH-Ca__dimethylamine--cyanide_150.xyz ├── IHB100x10_10.003_NH-Ca__dimethylamine--cyanide_monA.xyz ├── IHB100x10_10.003_NH-Ca__dimethylamine--cyanide_monB.xyz ├── IHB100x10_10.004_NH-Ca__methylamine--cyanide_080.xyz ├── IHB100x10_10.004_NH-Ca__methylamine--cyanide_100.xyz ├── IHB100x10_10.004_NH-Ca__methylamine--cyanide_150.xyz ├── IHB100x10_10.004_NH-Ca__methylamine--cyanide_monA.xyz ├── IHB100x10_10.004_NH-Ca__methylamine--cyanide_monB.xyz ├── IHB100x10_10.005_NH-Ca__Nmethylacetamide--cyanide_080.xyz ├── IHB100x10_10.005_NH-Ca__Nmethylacetamide--cyanide_100.xyz ├── IHB100x10_10.005_NH-Ca__Nmethylacetamide--cyanide_150.xyz ├── IHB100x10_10.005_NH-Ca__Nmethylacetamide--cyanide_monA.xyz ├── IHB100x10_10.005_NH-Ca__Nmethylacetamide--cyanide_monB.xyz ├── IHB100x10_11.001_CH-Oa__ethyne--oxalate_080.xyz ├── IHB100x10_11.001_CH-Oa__ethyne--oxalate_100.xyz ├── IHB100x10_11.001_CH-Oa__ethyne--oxalate_150.xyz ├── IHB100x10_11.001_CH-Oa__ethyne--oxalate_monA.xyz ├── IHB100x10_11.001_CH-Oa__ethyne--oxalate_monB.xyz ├── IHB100x10_11.002_CH-Oa__ethene--oxalate_080.xyz ├── IHB100x10_11.002_CH-Oa__ethene--oxalate_100.xyz ├── IHB100x10_11.002_CH-Oa__ethene--oxalate_150.xyz ├── IHB100x10_11.002_CH-Oa__ethene--oxalate_monA.xyz ├── IHB100x10_11.002_CH-Oa__ethene--oxalate_monB.xyz ├── IHB100x10_11.003_CH-Oa__benzene--hydroxide_080.xyz ├── IHB100x10_11.003_CH-Oa__benzene--hydroxide_100.xyz ├── IHB100x10_11.003_CH-Oa__benzene--hydroxide_150.xyz ├── IHB100x10_11.003_CH-Oa__benzene--hydroxide_monA.xyz ├── IHB100x10_11.003_CH-Oa__benzene--hydroxide_monB.xyz ├── IHB100x10_11.004_CH-Oa__benzene--nitrite_080.xyz ├── IHB100x10_11.004_CH-Oa__benzene--nitrite_100.xyz ├── IHB100x10_11.004_CH-Oa__benzene--nitrite_150.xyz ├── IHB100x10_11.004_CH-Oa__benzene--nitrite_monA.xyz ├── IHB100x10_11.004_CH-Oa__benzene--nitrite_monB.xyz ├── IHB100x10_11.005_CH-Oa__ethene--hydroxide_080.xyz ├── IHB100x10_11.005_CH-Oa__ethene--hydroxide_100.xyz ├── IHB100x10_11.005_CH-Oa__ethene--hydroxide_150.xyz ├── IHB100x10_11.005_CH-Oa__ethene--hydroxide_monA.xyz ├── IHB100x10_11.005_CH-Oa__ethene--hydroxide_monB.xyz ├── IHB100x10_11.006_CH-Oa__ethene--nitrite_080.xyz ├── IHB100x10_11.006_CH-Oa__ethene--nitrite_100.xyz ├── IHB100x10_11.006_CH-Oa__ethene--nitrite_150.xyz ├── IHB100x10_11.006_CH-Oa__ethene--nitrite_monA.xyz ├── IHB100x10_11.006_CH-Oa__ethene--nitrite_monB.xyz ├── IHB100x10_11.007_CH-Oa__ethyne--acetate_080.xyz ├── IHB100x10_11.007_CH-Oa__ethyne--acetate_100.xyz ├── IHB100x10_11.007_CH-Oa__ethyne--acetate_150.xyz ├── IHB100x10_11.007_CH-Oa__ethyne--acetate_monA.xyz ├── IHB100x10_11.007_CH-Oa__ethyne--acetate_monB.xyz ├── IHB100x10_11.008_CH-Oa__ethyne--nitrate_080.xyz ├── IHB100x10_11.008_CH-Oa__ethyne--nitrate_100.xyz ├── IHB100x10_11.008_CH-Oa__ethyne--nitrate_150.xyz ├── IHB100x10_11.008_CH-Oa__ethyne--nitrate_monA.xyz ├── IHB100x10_11.008_CH-Oa__ethyne--nitrate_monB.xyz ├── IHB100x10_11.009_CH-Oa__methane--acetate_080.xyz ├── IHB100x10_11.009_CH-Oa__methane--acetate_100.xyz ├── IHB100x10_11.009_CH-Oa__methane--acetate_150.xyz ├── IHB100x10_11.009_CH-Oa__methane--acetate_monA.xyz ├── IHB100x10_11.009_CH-Oa__methane--acetate_monB.xyz ├── IHB100x10_11.010_CH-Oa__methane--hydroxide_080.xyz ├── IHB100x10_11.010_CH-Oa__methane--hydroxide_100.xyz ├── IHB100x10_11.010_CH-Oa__methane--hydroxide_150.xyz ├── IHB100x10_11.010_CH-Oa__methane--hydroxide_monA.xyz ├── IHB100x10_11.010_CH-Oa__methane--hydroxide_monB.xyz ├── IHB100x10_11.011_CH-Oa__methane--nitrate_080.xyz ├── IHB100x10_11.011_CH-Oa__methane--nitrate_100.xyz ├── IHB100x10_11.011_CH-Oa__methane--nitrate_150.xyz ├── IHB100x10_11.011_CH-Oa__methane--nitrate_monA.xyz ├── IHB100x10_11.011_CH-Oa__methane--nitrate_monB.xyz ├── IHB100x10_11.012_CH-Oa__methane--nitrite_080.xyz ├── IHB100x10_11.012_CH-Oa__methane--nitrite_100.xyz ├── IHB100x10_11.012_CH-Oa__methane--nitrite_150.xyz ├── IHB100x10_11.012_CH-Oa__methane--nitrite_monA.xyz ├── IHB100x10_11.012_CH-Oa__methane--nitrite_monB.xyz ├── IHB100x10_11.013_CH-Oa__benzene--acetate_080.xyz ├── IHB100x10_11.013_CH-Oa__benzene--acetate_100.xyz ├── IHB100x10_11.013_CH-Oa__benzene--acetate_150.xyz ├── IHB100x10_11.013_CH-Oa__benzene--acetate_monA.xyz ├── IHB100x10_11.013_CH-Oa__benzene--acetate_monB.xyz ├── IHB100x10_11.014_CH-Oa__benzene--benzoate_080.xyz ├── IHB100x10_11.014_CH-Oa__benzene--benzoate_100.xyz ├── IHB100x10_11.014_CH-Oa__benzene--benzoate_150.xyz ├── IHB100x10_11.014_CH-Oa__benzene--benzoate_monA.xyz ├── IHB100x10_11.014_CH-Oa__benzene--benzoate_monB.xyz ├── IHB100x10_11.015_CH-Oa__ethene--acetate_080.xyz ├── IHB100x10_11.015_CH-Oa__ethene--acetate_100.xyz ├── IHB100x10_11.015_CH-Oa__ethene--acetate_150.xyz ├── IHB100x10_11.015_CH-Oa__ethene--acetate_monA.xyz ├── IHB100x10_11.015_CH-Oa__ethene--acetate_monB.xyz ├── IHB100x10_12.001_CH-Na__benzene--cyanide_080.xyz ├── IHB100x10_12.001_CH-Na__benzene--cyanide_100.xyz ├── IHB100x10_12.001_CH-Na__benzene--cyanide_150.xyz ├── IHB100x10_12.001_CH-Na__benzene--cyanide_monA.xyz ├── IHB100x10_12.001_CH-Na__benzene--cyanide_monB.xyz ├── IHB100x10_12.002_CH-Na__ethene--cyanide_080.xyz ├── IHB100x10_12.002_CH-Na__ethene--cyanide_100.xyz ├── IHB100x10_12.002_CH-Na__ethene--cyanide_150.xyz ├── IHB100x10_12.002_CH-Na__ethene--cyanide_monA.xyz ├── IHB100x10_12.002_CH-Na__ethene--cyanide_monB.xyz ├── IHB100x10_12.003_CH-Na__ethyne--cyanide_080.xyz ├── IHB100x10_12.003_CH-Na__ethyne--cyanide_100.xyz ├── IHB100x10_12.003_CH-Na__ethyne--cyanide_150.xyz ├── IHB100x10_12.003_CH-Na__ethyne--cyanide_monA.xyz ├── IHB100x10_12.003_CH-Na__ethyne--cyanide_monB.xyz ├── IHB100x10_13.001_CH-Ca__methane--cyanide_080.xyz ├── IHB100x10_13.001_CH-Ca__methane--cyanide_100.xyz ├── IHB100x10_13.001_CH-Ca__methane--cyanide_150.xyz ├── IHB100x10_13.001_CH-Ca__methane--cyanide_monA.xyz ├── IHB100x10_13.001_CH-Ca__methane--cyanide_monB.xyz ├── IL16_008.xyz ├── IL16_008A.xyz ├── IL16_008B.xyz ├── IL16_144.xyz ├── IL16_144A.xyz ├── IL16_144B.xyz ├── IL16_147.xyz ├── IL16_147A.xyz ├── IL16_147B.xyz ├── IL16_148.xyz ├── IL16_148A.xyz ├── IL16_148B.xyz ├── IL16_150.xyz ├── IL16_150A.xyz ├── IL16_150B.xyz ├── IL16_152.xyz ├── IL16_152A.xyz ├── IL16_152B.xyz ├── IL16_187.xyz ├── IL16_187A.xyz ├── IL16_187B.xyz ├── IL16_202.xyz ├── IL16_202A.xyz ├── IL16_202B.xyz ├── IL16_212.xyz ├── IL16_212A.xyz ├── IL16_212B.xyz ├── IL16_213.xyz ├── IL16_213A.xyz ├── IL16_213B.xyz ├── IL16_214.xyz ├── IL16_214A.xyz ├── IL16_214B.xyz ├── IL16_227.xyz ├── IL16_227A.xyz ├── IL16_227B.xyz ├── IL16_228.xyz ├── IL16_228A.xyz ├── IL16_228B.xyz ├── IL16_229.xyz ├── IL16_229A.xyz ├── IL16_229B.xyz ├── IL16_230.xyz ├── IL16_230A.xyz ├── IL16_230B.xyz ├── IL16_231.xyz ├── IL16_231A.xyz ├── IL16_231B.xyz ├── INV24_BN_Corannulene.xyz ├── INV24_BN_Corannulene_TS.xyz ├── INV24_BN_Sumanene.xyz ├── INV24_BN_Sumanene_TS.xyz ├── INV24_Corannulene.xyz ├── INV24_Corannulene_TS.xyz ├── INV24_Dibenzocarbazole.xyz ├── INV24_Dibenzocarbazole_TS.xyz ├── INV24_Dibenzocycloheptene.xyz ├── INV24_Dibenzocycloheptene_TS.xyz ├── INV24_Ether.xyz ├── INV24_Ether_TS.xyz ├── INV24_H2O.xyz ├── INV24_H2O_TS.xyz ├── INV24_H2S.xyz ├── INV24_H2S_TS.xyz ├── INV24_Hexahelicene.xyz ├── INV24_Hexahelicene_TS.xyz ├── INV24_Methinecyanine.xyz ├── INV24_Methinecyanine_TS.xyz ├── INV24_NCl3.xyz ├── INV24_NCl3_TS.xyz ├── INV24_NMe3.xyz ├── INV24_NMe3_TS.xyz ├── INV24_PCl3.xyz ├── INV24_PCl3_TS.xyz ├── INV24_PH2Ph.xyz ├── INV24_PH2Ph_TS.xyz ├── INV24_PMe3.xyz ├── INV24_PMe3_TS.xyz ├── INV24_PPh3.xyz ├── INV24_PPh3_TS.xyz ├── INV24_Pentahelicene.xyz ├── INV24_Pentahelicene_TS.xyz ├── INV24_SO2.xyz ├── INV24_SO2_TS.xyz ├── INV24_Sumanene.xyz ├── INV24_Sumanene_TS.xyz ├── INV24_Tetrabenzopyracylene.xyz ├── INV24_Tetrabenzopyracylene_TS.xyz ├── INV24_Tetrahelicene.xyz ├── INV24_Tetrahelicene_TS.xyz ├── INV24_Thioether.xyz ├── INV24_Thioether_TS.xyz ├── INV24_Triazasumanene.xyz ├── INV24_Triazasumanene_TS.xyz ├── INV24_Triindenotriphenylene.xyz ├── INV24_Triindenotriphenylene_TS.xyz ├── IP23_Ar.xyz ├── IP23_Ar_n.xyz ├── IP23_BF.xyz ├── IP23_BF_n.xyz ├── IP23_BH3.xyz ├── IP23_BH3_n.xyz ├── IP23_BN.xyz ├── IP23_BN_n.xyz ├── IP23_BeO.xyz ├── IP23_BeO_n.xyz ├── IP23_C2.xyz ├── IP23_C2_n.xyz ├── IP23_CH2O.xyz ├── IP23_CH2O_n.xyz ├── IP23_CH4.xyz ├── IP23_CH4_n.xyz ├── IP23_CO.xyz ├── IP23_CO2.xyz ├── IP23_CO2_n.xyz ├── IP23_CO_n.xyz ├── IP23_CS.xyz ├── IP23_CS_n.xyz ├── IP23_F2.xyz ├── IP23_F2_n.xyz ├── IP23_H2O.xyz ├── IP23_H2O_n.xyz ├── IP23_H2S.xyz ├── IP23_H2S_n.xyz ├── IP23_HCl.xyz ├── IP23_HCl_n.xyz ├── IP23_HF.xyz ├── IP23_HF_n.xyz ├── IP23_LiCl.xyz ├── IP23_LiCl_n.xyz ├── IP23_LiF.xyz ├── IP23_LiF_n.xyz ├── IP23_N2.xyz ├── IP23_N2_n.xyz ├── IP23_NH3.xyz ├── IP23_NH3_n.xyz ├── IP23_Ne.xyz ├── IP23_Ne_n.xyz ├── IP23_PH3.xyz ├── IP23_PH3_n.xyz ├── IP23_SiH4.xyz ├── IP23_SiH4_n.xyz ├── IP30_C2F4.xyz ├── IP30_C2F4_n.xyz ├── IP30_C2H2.xyz ├── IP30_C2H2F2.xyz ├── IP30_C2H2F2_n.xyz ├── IP30_C2H2_n.xyz ├── IP30_C2H4.xyz ├── IP30_C2H4_n.xyz ├── IP30_C2H6.xyz ├── IP30_C2H6_n.xyz ├── IP30_C2N2.xyz ├── IP30_C2N2_n.xyz ├── IP30_C3O2.xyz ├── IP30_C3O2_n.xyz ├── IP30_CF4.xyz ├── IP30_CF4_n.xyz ├── IP30_CH2F2.xyz ├── IP30_CH2F2_n.xyz ├── IP30_CH3CCH.xyz ├── IP30_CH3CCH_n.xyz ├── IP30_CH3CN.xyz ├── IP30_CH3CN_n.xyz ├── IP30_CH3F.xyz ├── IP30_CH3F_n.xyz ├── IP30_CH3NC.xyz ├── IP30_CH3NC_n.xyz ├── IP30_CHF3.xyz ├── IP30_CHF3_n.xyz ├── IP30_FCN.xyz ├── IP30_FCN_n.xyz ├── IP30_H2CS.xyz ├── IP30_H2CS_n.xyz ├── IP30_HC4H.xyz ├── IP30_HC4H_n.xyz ├── IP30_HCCCN.xyz ├── IP30_HCCCN_n.xyz ├── IP30_HCCF.xyz ├── IP30_HCCF_n.xyz ├── IP30_HCN.xyz ├── IP30_HCN_n.xyz ├── IP30_HCONH2.xyz ├── IP30_HCONH2_n.xyz ├── IP30_HCOOH.xyz ├── IP30_HCOOH_n.xyz ├── IP30_NNO.xyz ├── IP30_NNO_n.xyz ├── IP30_NSF.xyz ├── IP30_NSF_n.xyz ├── IP30_O3.xyz ├── IP30_O3_n.xyz ├── IP30_OCS.xyz ├── IP30_OCS_n.xyz ├── IP30_P2.xyz ├── IP30_P2_n.xyz ├── IP30_SiF4.xyz ├── IP30_SiF4_n.xyz ├── IP30_SiO.xyz ├── IP30_SiO_n.xyz ├── IP30_cis-C2H2F2.xyz ├── IP30_cis-C2H2F2_n.xyz ├── ISO34_E1.xyz ├── ISO34_E10.xyz ├── ISO34_E11.xyz ├── ISO34_E12.xyz ├── ISO34_E13.xyz ├── ISO34_E14.xyz ├── ISO34_E15.xyz ├── ISO34_E16.xyz ├── ISO34_E17.xyz ├── ISO34_E18.xyz ├── ISO34_E19.xyz ├── ISO34_E20.xyz ├── ISO34_E21.xyz ├── ISO34_E22.xyz ├── ISO34_E23.xyz ├── ISO34_E24.xyz ├── ISO34_E25.xyz ├── ISO34_E26.xyz ├── ISO34_E27.xyz ├── ISO34_E28.xyz ├── ISO34_E29.xyz ├── ISO34_E3.xyz ├── ISO34_E30.xyz ├── ISO34_E31.xyz ├── ISO34_E32.xyz ├── ISO34_E33.xyz ├── ISO34_E34.xyz ├── ISO34_E4.xyz ├── ISO34_E5.xyz ├── ISO34_E7.xyz ├── ISO34_E8.xyz ├── ISO34_E9.xyz ├── ISO34_P1.xyz ├── ISO34_P10.xyz ├── ISO34_P11.xyz ├── ISO34_P12.xyz ├── ISO34_P13.xyz ├── ISO34_P14.xyz ├── ISO34_P15.xyz ├── ISO34_P16.xyz ├── ISO34_P17.xyz ├── ISO34_P18.xyz ├── ISO34_P2.xyz ├── ISO34_P20.xyz ├── ISO34_P21.xyz ├── ISO34_P23.xyz ├── ISO34_P24.xyz ├── ISO34_P25.xyz ├── ISO34_P26.xyz ├── ISO34_P27.xyz ├── ISO34_P28.xyz ├── ISO34_P29.xyz ├── ISO34_P3.xyz ├── ISO34_P30.xyz ├── ISO34_P31.xyz ├── ISO34_P32.xyz ├── ISO34_P33.xyz ├── ISO34_P34.xyz ├── ISO34_P4.xyz ├── ISO34_P6.xyz ├── ISO34_P7.xyz ├── ISO34_P8.xyz ├── ISO34_P9.xyz ├── ISOL24_i10e.xyz ├── ISOL24_i10p.xyz ├── ISOL24_i11e.xyz ├── ISOL24_i11p.xyz ├── ISOL24_i12e.xyz ├── ISOL24_i12p.xyz ├── ISOL24_i13e.xyz ├── ISOL24_i13p.xyz ├── ISOL24_i14e.xyz ├── ISOL24_i14p.xyz ├── ISOL24_i15e.xyz ├── ISOL24_i15p.xyz ├── ISOL24_i16e.xyz ├── ISOL24_i16p.xyz ├── ISOL24_i17e.xyz ├── ISOL24_i17p.xyz ├── ISOL24_i18e.xyz ├── ISOL24_i18p.xyz ├── ISOL24_i19e.xyz ├── ISOL24_i19p.xyz ├── ISOL24_i1e.xyz ├── ISOL24_i1p.xyz ├── ISOL24_i20e.xyz ├── ISOL24_i20p.xyz ├── ISOL24_i21e.xyz ├── ISOL24_i21p.xyz ├── ISOL24_i22e.xyz ├── ISOL24_i22p.xyz ├── ISOL24_i23e.xyz ├── ISOL24_i23p.xyz ├── ISOL24_i24e.xyz ├── ISOL24_i24p.xyz ├── ISOL24_i2e.xyz ├── ISOL24_i2p.xyz ├── ISOL24_i3e.xyz ├── ISOL24_i3p.xyz ├── ISOL24_i4e.xyz ├── ISOL24_i4p.xyz ├── ISOL24_i5e.xyz ├── ISOL24_i5p.xyz ├── ISOL24_i6e.xyz ├── ISOL24_i6p.xyz ├── ISOL24_i7e.xyz ├── ISOL24_i7p.xyz ├── ISOL24_i8e.xyz ├── ISOL24_i8p.xyz ├── ISOL24_i9e.xyz ├── ISOL24_i9p.xyz ├── MB08-165_001.xyz ├── MB08-165_002.xyz ├── MB08-165_003.xyz ├── MB08-165_004.xyz ├── MB08-165_005.xyz ├── MB08-165_006.xyz ├── MB08-165_007.xyz ├── MB08-165_008.xyz ├── MB08-165_009.xyz ├── MB08-165_010.xyz ├── MB08-165_011.xyz ├── MB08-165_012.xyz ├── MB08-165_013.xyz ├── MB08-165_014.xyz ├── MB08-165_015.xyz ├── MB08-165_016.xyz ├── MB08-165_017.xyz ├── MB08-165_018.xyz ├── MB08-165_019.xyz ├── MB08-165_020.xyz ├── MB08-165_021.xyz ├── MB08-165_022.xyz ├── MB08-165_023.xyz ├── MB08-165_024.xyz ├── MB08-165_025.xyz ├── MB08-165_026.xyz ├── MB08-165_027.xyz ├── MB08-165_028.xyz ├── MB08-165_029.xyz ├── MB08-165_030.xyz ├── MB08-165_031.xyz ├── MB08-165_032.xyz ├── MB08-165_033.xyz ├── MB08-165_034.xyz ├── MB08-165_035.xyz ├── MB08-165_036.xyz ├── MB08-165_037.xyz ├── MB08-165_038.xyz ├── MB08-165_039.xyz ├── MB08-165_040.xyz ├── MB08-165_041.xyz ├── MB08-165_042.xyz ├── MB08-165_043.xyz ├── MB08-165_044.xyz ├── MB08-165_045.xyz ├── MB08-165_046.xyz ├── MB08-165_047.xyz ├── MB08-165_048.xyz ├── MB08-165_049.xyz ├── MB08-165_050.xyz ├── MB08-165_051.xyz ├── MB08-165_052.xyz ├── MB08-165_053.xyz ├── MB08-165_054.xyz ├── MB08-165_055.xyz ├── MB08-165_056.xyz ├── MB08-165_057.xyz ├── MB08-165_058.xyz ├── MB08-165_059.xyz ├── MB08-165_060.xyz ├── MB08-165_061.xyz ├── MB08-165_062.xyz ├── MB08-165_063.xyz ├── MB08-165_064.xyz ├── MB08-165_065.xyz ├── MB08-165_066.xyz ├── MB08-165_067.xyz ├── MB08-165_068.xyz ├── MB08-165_069.xyz ├── MB08-165_070.xyz ├── MB08-165_071.xyz ├── MB08-165_072.xyz ├── MB08-165_073.xyz ├── MB08-165_074.xyz ├── MB08-165_075.xyz ├── MB08-165_076.xyz ├── MB08-165_077.xyz ├── MB08-165_078.xyz ├── MB08-165_079.xyz ├── MB08-165_080.xyz ├── MB08-165_081.xyz ├── MB08-165_082.xyz ├── MB08-165_083.xyz ├── MB08-165_084.xyz ├── MB08-165_085.xyz ├── MB08-165_086.xyz ├── MB08-165_087.xyz ├── MB08-165_088.xyz ├── MB08-165_089.xyz ├── MB08-165_090.xyz ├── MB08-165_091.xyz ├── MB08-165_092.xyz ├── MB08-165_093.xyz ├── MB08-165_094.xyz ├── MB08-165_095.xyz ├── MB08-165_096.xyz ├── MB08-165_097.xyz ├── MB08-165_098.xyz ├── MB08-165_099.xyz ├── MB08-165_100.xyz ├── MB08-165_101.xyz ├── MB08-165_102.xyz ├── MB08-165_103.xyz ├── MB08-165_104.xyz ├── MB08-165_105.xyz ├── MB08-165_106.xyz ├── MB08-165_107.xyz ├── MB08-165_108.xyz ├── MB08-165_109.xyz ├── MB08-165_110.xyz ├── MB08-165_111.xyz ├── MB08-165_112.xyz ├── MB08-165_113.xyz ├── MB08-165_114.xyz ├── MB08-165_115.xyz ├── MB08-165_116.xyz ├── MB08-165_117.xyz ├── MB08-165_118.xyz ├── MB08-165_119.xyz ├── MB08-165_120.xyz ├── MB08-165_121.xyz ├── MB08-165_122.xyz ├── MB08-165_123.xyz ├── MB08-165_124.xyz ├── MB08-165_125.xyz ├── MB08-165_126.xyz ├── MB08-165_127.xyz ├── MB08-165_128.xyz ├── MB08-165_129.xyz ├── MB08-165_130.xyz ├── MB08-165_131.xyz ├── MB08-165_132.xyz ├── MB08-165_133.xyz ├── MB08-165_134.xyz ├── MB08-165_135.xyz ├── MB08-165_136.xyz ├── MB08-165_137.xyz ├── MB08-165_138.xyz ├── MB08-165_139.xyz ├── MB08-165_140.xyz ├── MB08-165_141.xyz ├── MB08-165_142.xyz ├── MB08-165_143.xyz ├── MB08-165_144.xyz ├── MB08-165_145.xyz ├── MB08-165_146.xyz ├── MB08-165_147.xyz ├── MB08-165_148.xyz ├── MB08-165_149.xyz ├── MB08-165_150.xyz ├── MB08-165_151.xyz ├── MB08-165_152.xyz ├── MB08-165_153.xyz ├── MB08-165_154.xyz ├── MB08-165_155.xyz ├── MB08-165_156.xyz ├── MB08-165_157.xyz ├── MB08-165_158.xyz ├── MB08-165_159.xyz ├── MB08-165_160.xyz ├── MB08-165_161.xyz ├── MB08-165_162.xyz ├── MB08-165_163.xyz ├── MB08-165_164.xyz ├── MB08-165_165.xyz ├── MB08-165_166_h.xyz ├── MB08-165_167_li.xyz ├── MB08-165_168_be.xyz ├── MB08-165_169_b.xyz ├── MB08-165_170_c.xyz ├── MB08-165_171_n.xyz ├── MB08-165_172_o.xyz ├── MB08-165_173_f.xyz ├── MB08-165_174_na.xyz ├── MB08-165_175_mg.xyz ├── MB08-165_176_al.xyz ├── MB08-165_177_si.xyz ├── MB08-165_178_p.xyz ├── MB08-165_179_s.xyz ├── MB08-165_180_cl.xyz ├── MB16-43_01.xyz ├── MB16-43_02.xyz ├── MB16-43_03.xyz ├── MB16-43_04.xyz ├── MB16-43_05.xyz ├── MB16-43_06.xyz ├── MB16-43_07.xyz ├── MB16-43_08.xyz ├── MB16-43_09.xyz ├── MB16-43_10.xyz ├── MB16-43_11.xyz ├── MB16-43_12.xyz ├── MB16-43_13.xyz ├── MB16-43_14.xyz ├── MB16-43_15.xyz ├── MB16-43_16.xyz ├── MB16-43_17.xyz ├── MB16-43_18.xyz ├── MB16-43_19.xyz ├── MB16-43_20.xyz ├── MB16-43_21.xyz ├── MB16-43_22.xyz ├── MB16-43_23.xyz ├── MB16-43_24.xyz ├── MB16-43_25.xyz ├── MB16-43_26.xyz ├── MB16-43_27.xyz ├── MB16-43_28.xyz ├── MB16-43_29.xyz ├── MB16-43_30.xyz ├── MB16-43_31.xyz ├── MB16-43_32.xyz ├── MB16-43_33.xyz ├── MB16-43_34.xyz ├── MB16-43_35.xyz ├── MB16-43_36.xyz ├── MB16-43_37.xyz ├── MB16-43_38.xyz ├── MB16-43_39.xyz ├── MB16-43_40.xyz ├── MB16-43_41.xyz ├── MB16-43_42.xyz ├── MB16-43_43.xyz ├── MB16-43_AlH3.xyz ├── MB16-43_BH3.xyz ├── MB16-43_BeH2.xyz ├── MB16-43_CH4.xyz ├── MB16-43_Cl2.xyz ├── MB16-43_F2.xyz ├── MB16-43_H2.xyz ├── MB16-43_LiH.xyz ├── MB16-43_MgH2.xyz ├── MB16-43_N2.xyz ├── MB16-43_NaH.xyz ├── MB16-43_O2.xyz ├── MB16-43_P2.xyz ├── MB16-43_S2.xyz ├── MB16-43_SiH4.xyz ├── MCONF_1.xyz ├── MCONF_10.xyz ├── MCONF_11.xyz ├── MCONF_12.xyz ├── MCONF_13.xyz ├── MCONF_14.xyz ├── MCONF_15.xyz ├── MCONF_16.xyz ├── MCONF_17.xyz ├── MCONF_18.xyz ├── MCONF_19.xyz ├── MCONF_2.xyz ├── MCONF_20.xyz ├── MCONF_21.xyz ├── MCONF_22.xyz ├── MCONF_23.xyz ├── MCONF_24.xyz ├── MCONF_25.xyz ├── MCONF_26.xyz ├── MCONF_27.xyz ├── MCONF_28.xyz ├── MCONF_29.xyz ├── MCONF_3.xyz ├── MCONF_30.xyz ├── MCONF_31.xyz ├── MCONF_32.xyz ├── MCONF_33.xyz ├── MCONF_34.xyz ├── MCONF_35.xyz ├── MCONF_36.xyz ├── MCONF_37.xyz ├── MCONF_38.xyz ├── MCONF_39.xyz ├── MCONF_4.xyz ├── MCONF_40.xyz ├── MCONF_41.xyz ├── MCONF_42.xyz ├── MCONF_43.xyz ├── MCONF_44.xyz ├── MCONF_45.xyz ├── MCONF_46.xyz ├── MCONF_47.xyz ├── MCONF_48.xyz ├── MCONF_49.xyz ├── MCONF_5.xyz ├── MCONF_50.xyz ├── MCONF_51.xyz ├── MCONF_52.xyz ├── MCONF_6.xyz ├── MCONF_7.xyz ├── MCONF_8.xyz ├── MCONF_9.xyz ├── MME55_AAP_int1a.xyz ├── MME55_AAP_int1b.xyz ├── MME55_AAP_int2.xyz ├── MME55_AAP_int3.xyz ├── MME55_AAP_p.xyz ├── MME55_AAP_r.xyz ├── MME55_AAP_ts1.xyz ├── MME55_AAP_ts2.xyz ├── MME55_AAP_ts3.xyz ├── MME55_AAP_ts4.xyz ├── MME55_AH_int1.xyz ├── MME55_AH_int2.xyz ├── MME55_AH_int3.xyz ├── MME55_AH_int4.xyz ├── MME55_AH_p.xyz ├── MME55_AH_r.xyz ├── MME55_AH_ts1.xyz ├── MME55_AH_ts2.xyz ├── MME55_AH_ts3.xyz ├── MME55_AH_ts4.xyz ├── MME55_CDO_1A.xyz ├── MME55_CDO_1B.xyz ├── MME55_CDO_1C.xyz ├── MME55_CDO_3A.xyz ├── MME55_CDO_3B.xyz ├── MME55_CDO_3Cprime.xyz ├── MME55_CDO_3D.xyz ├── MME55_CDO_5A.xyz ├── MME55_CDO_5B.xyz ├── MME55_CDO_5C.xyz ├── MME55_CDO_5Cprime.xyz ├── MME55_CDO_5D.xyz ├── MME55_CoNHase_EP.xyz ├── MME55_CoNHase_ES.xyz ├── MME55_CoNHase_INT1.xyz ├── MME55_CoNHase_INT2.xyz ├── MME55_DMML_INT1.xyz ├── MME55_DMML_INT2.xyz ├── MME55_DMML_INT3.xyz ├── MME55_DMML_INT4.xyz ├── MME55_DMML_PROD1.xyz ├── MME55_DMML_REACT.xyz ├── MME55_Hc_1_1.xyz ├── MME55_Hc_1_2a.xyz ├── MME55_Hc_1_3.xyz ├── MME55_Hc_3_1.xyz ├── MME55_Hc_3_2a.xyz ├── MME55_Hc_3_3.xyz ├── MME55_Hc_3_TS1.xyz ├── MME55_Hc_3_TS2.xyz ├── MME55_MoCuCODH_Int1A.xyz ├── MME55_MoCuCODH_Int2A.xyz ├── MME55_MoCuCODH_Int3A.xyz ├── MME55_MoCuCODH_Int4A.xyz ├── MME55_MoCuCODH_Int5A.xyz ├── MME55_MoCuCODH_Int6A.xyz ├── MME55_NiSOD_4_singlet.xyz ├── MME55_NiSOD_4_triplet.xyz ├── MME55_NiSOD_4prime_singlet.xyz ├── MME55_NiSOD_4prime_triplet.xyz ├── MME55_NiSOD_TS4.xyz ├── MME55_PTE_i.xyz ├── MME55_PTE_r.xyz ├── MME55_PTE_ts1.xyz ├── MME55_PTE_ts2.xyz ├── MME55_WFOR_int.xyz ├── MME55_WFOR_p.xyz ├── MME55_WFOR_r.xyz ├── MME55_WFOR_ts1.xyz ├── MME55_WFOR_ts2.xyz ├── MOBH35_01_end.xyz ├── MOBH35_01_start.xyz ├── MOBH35_01_ts.xyz ├── MOBH35_02_end.xyz ├── MOBH35_02_start.xyz ├── MOBH35_02_ts.xyz ├── MOBH35_03_end.xyz ├── MOBH35_03_start.xyz ├── MOBH35_03_ts.xyz ├── MOBH35_04_end.xyz ├── MOBH35_04_start.xyz ├── MOBH35_04_ts.xyz ├── MOBH35_05_end_correct.xyz ├── MOBH35_05_start.xyz ├── MOBH35_05_ts.xyz ├── MOBH35_06_end.xyz ├── MOBH35_06_start.xyz ├── MOBH35_06_ts.xyz ├── MOBH35_07_end.xyz ├── MOBH35_07_start.xyz ├── MOBH35_07_ts.xyz ├── MOBH35_08_end.xyz ├── MOBH35_08_start.xyz ├── MOBH35_08_ts.xyz ├── MOBH35_10_end_MAI.xyz ├── MOBH35_10_start_MAI.xyz ├── MOBH35_10_ts_MAI.xyz ├── MOBH35_11_end.xyz ├── MOBH35_11_start.xyz ├── MOBH35_11_ts.xyz ├── MOBH35_12_end.xyz ├── MOBH35_12_start.xyz ├── MOBH35_12_ts.xyz ├── MOBH35_13_end.xyz ├── MOBH35_13_start.xyz ├── MOBH35_13_ts.xyz ├── MOBH35_14_end.xyz ├── MOBH35_14_start.xyz ├── MOBH35_14_ts.xyz ├── MOBH35_15_end.xyz ├── MOBH35_15_start.xyz ├── MOBH35_15_ts.xyz ├── MOBH35_16_end.xyz ├── MOBH35_16_start.xyz ├── MOBH35_16_ts.xyz ├── MOBH35_21_end.xyz ├── MOBH35_21_start.xyz ├── MOBH35_21_ts.xyz ├── MOBH35_22_end.xyz ├── MOBH35_22_start.xyz ├── MOBH35_22_ts.xyz ├── MOBH35_23_end.xyz ├── MOBH35_23_start.xyz ├── MOBH35_23_ts.xyz ├── MOBH35_26_end.xyz ├── MOBH35_26_start.xyz ├── MOBH35_26_ts.xyz ├── MOBH35_27_end.xyz ├── MOBH35_27_start.xyz ├── MOBH35_27_ts.xyz ├── MOBH35_28_end.xyz ├── MOBH35_28_start.xyz ├── MOBH35_28_ts.xyz ├── MOBH35_29_end.xyz ├── MOBH35_29_start.xyz ├── MOBH35_29_ts.xyz ├── MOBH35_30_end.xyz ├── MOBH35_30_start.xyz ├── MOBH35_30_ts.xyz ├── MOBH35_31_end.xyz ├── MOBH35_31_start.xyz ├── MOBH35_31_ts.xyz ├── MOBH35_32_end.xyz ├── MOBH35_32_start.xyz ├── MOBH35_32_ts.xyz ├── MOBH35_33_end.xyz ├── MOBH35_33_start.xyz ├── MOBH35_33_ts.xyz ├── MOBH35_34_end.xyz ├── MOBH35_34_start.xyz ├── MOBH35_34_ts.xyz ├── MOBH35_35_end_MAI.xyz ├── MOBH35_35_start_MAI.xyz ├── MOBH35_35_ts_MAI.xyz ├── MOBH35_prodCH4.xyz ├── MOBH35_prodCO.xyz ├── MOR01_accl.xyz ├── MOR02_bz.xyz ├── MOR03_c2h4.xyz ├── MOR04_c2h6.xyz ├── MOR05_co.xyz ├── MOR06_cod.xyz ├── MOR07_ed01.xyz ├── MOR08_ed05.xyz ├── MOR09_ed07.xyz ├── MOR10_ed09.xyz ├── MOR11_ed11.xyz ├── MOR12_ed18.xyz ├── MOR13_ed24.xyz ├── MOR14_ed26.xyz ├── MOR15_ed28.xyz ├── MOR16_ed33.xyz ├── MOR17_ed36.xyz ├── MOR18_ed37.xyz ├── MOR19_h2.xyz ├── MOR20_i2.xyz ├── MOR21_mecn.xyz ├── MOR22_pcy3.xyz ├── MOR23_phseh.xyz ├── MOR24_pme3.xyz ├── MOR25_pr01.xyz ├── MOR26_pr05.xyz ├── MOR27_pr07.xyz ├── MOR28_pr09.xyz ├── MOR29_pr11.xyz ├── MOR30_pr12.xyz ├── MOR31_pr20.xyz ├── MOR32_pr24.xyz ├── MOR33_pr28.xyz ├── MOR34_pr35.xyz ├── MOR35_pr36.xyz ├── MOR36_pr37.xyz ├── MOR37_pr38.xyz ├── MX35_1109_NaF_006.xyz ├── MX35_1109_NaF_008.xyz ├── MX35_1109_NaF_01.xyz ├── MX35_1109_NaF_02.xyz ├── MX35_1109_NaF_04.xyz ├── MX35_1117_NaCl_006.xyz ├── MX35_1117_NaCl_008.xyz ├── MX35_1117_NaCl_01.xyz ├── MX35_1117_NaCl_02.xyz ├── MX35_1117_NaCl_04.xyz ├── MX35_1208_MgO_006.xyz ├── MX35_1208_MgO_008.xyz ├── MX35_1208_MgO_01.xyz ├── MX35_1208_MgO_02.xyz ├── MX35_1208_MgO_04.xyz ├── MX35_1216_MgS_006.xyz ├── MX35_1216_MgS_008.xyz ├── MX35_1216_MgS_01.xyz ├── MX35_1216_MgS_02.xyz ├── MX35_1216_MgS_04.xyz ├── MX35_1909_KF_006.xyz ├── MX35_1909_KF_008.xyz ├── MX35_1909_KF_01.xyz ├── MX35_1909_KF_02.xyz ├── MX35_1909_KF_04.xyz ├── MX35_2008_CaO_006.xyz ├── MX35_2008_CaO_008.xyz ├── MX35_2008_CaO_01.xyz ├── MX35_2008_CaO_02.xyz ├── MX35_2008_CaO_04.xyz ├── MX35_2016_CaS_006.xyz ├── MX35_2016_CaS_008.xyz ├── MX35_2016_CaS_01.xyz ├── MX35_2016_CaS_02.xyz ├── MX35_2016_CaS_04.xyz ├── MX35_Ca.xyz ├── MX35_Cl.xyz ├── MX35_F.xyz ├── MX35_K.xyz ├── MX35_Mg.xyz ├── MX35_Na.xyz ├── MX35_O.xyz ├── MX35_S.xyz ├── NBPRC_BCl3.xyz ├── NBPRC_BCl3PMe3.xyz ├── NBPRC_BF3.xyz ├── NBPRC_BF3PMe3.xyz ├── NBPRC_BH3.xyz ├── NBPRC_BH3PH3.xyz ├── NBPRC_H2.xyz ├── NBPRC_K_Cl.xyz ├── NBPRC_K_F.xyz ├── NBPRC_K_H.xyz ├── NBPRC_PH3.xyz ├── NBPRC_PMe3.xyz ├── NBPRC_bz.xyz ├── NBPRC_cbut.xyz ├── NBPRC_ch.xyz ├── NBPRC_nh-bh.xyz ├── NBPRC_nh2-bh2.xyz ├── NBPRC_nh3-bh3.xyz ├── NBPRC_nh3.xyz ├── O24x5_c2h3-c2h4_0.9.xyz ├── O24x5_c2h3-c2h4_1.0.xyz ├── O24x5_c2h3-c2h4_1.2.xyz ├── O24x5_c2h3-c2h4_1.5.xyz ├── O24x5_c2h3-c2h4_2.0.xyz ├── O24x5_c2h3-c2h4_monA.xyz ├── O24x5_c2h3-c2h4_monB.xyz ├── O24x5_c2h3-co2_0.9.xyz ├── O24x5_c2h3-co2_1.0.xyz ├── O24x5_c2h3-co2_1.2.xyz ├── O24x5_c2h3-co2_1.5.xyz ├── O24x5_c2h3-co2_2.0.xyz ├── O24x5_c2h3-co2_monA.xyz ├── O24x5_c2h3-co2_monB.xyz ├── O24x5_ch2o-nh2_0.9.xyz ├── O24x5_ch2o-nh2_1.0.xyz ├── O24x5_ch2o-nh2_1.2.xyz ├── O24x5_ch2o-nh2_1.5.xyz ├── O24x5_ch2o-nh2_2.0.xyz ├── O24x5_ch2o-nh2_monA.xyz ├── O24x5_ch2o-nh2_monB.xyz ├── O24x5_cn-ar_0.9.xyz ├── O24x5_cn-ar_1.0.xyz ├── O24x5_cn-ar_1.2.xyz ├── O24x5_cn-ar_1.5.xyz ├── O24x5_cn-ar_2.0.xyz ├── O24x5_cn-ar_monA.xyz ├── O24x5_cn-ar_monB.xyz ├── O24x5_cn-h2_0.9.xyz ├── O24x5_cn-h2_1.0.xyz ├── O24x5_cn-h2_1.2.xyz ├── O24x5_cn-h2_1.5.xyz ├── O24x5_cn-h2_2.0.xyz ├── O24x5_cn-h2_monA.xyz ├── O24x5_cn-h2_monB.xyz ├── O24x5_cn-he_0.9.xyz ├── O24x5_cn-he_1.0.xyz ├── O24x5_cn-he_1.2.xyz ├── O24x5_cn-he_1.5.xyz ├── O24x5_cn-he_2.0.xyz ├── O24x5_cn-he_monA.xyz ├── O24x5_cn-he_monB.xyz ├── O24x5_co2-o2_0.9.xyz ├── O24x5_co2-o2_1.0.xyz ├── O24x5_co2-o2_1.2.xyz ├── O24x5_co2-o2_1.5.xyz ├── O24x5_co2-o2_2.0.xyz ├── O24x5_co2-o2_monA.xyz ├── O24x5_co2-o2_monB.xyz ├── O24x5_h2o-na_0.9.xyz ├── O24x5_h2o-na_1.0.xyz ├── O24x5_h2o-na_1.2.xyz ├── O24x5_h2o-na_1.5.xyz ├── O24x5_h2o-na_2.0.xyz ├── O24x5_h2o-na_monA.xyz ├── O24x5_h2o-na_monB.xyz ├── O24x5_h2o-o2_gm_0.9.xyz ├── O24x5_h2o-o2_gm_1.0.xyz ├── O24x5_h2o-o2_gm_1.2.xyz ├── O24x5_h2o-o2_gm_1.5.xyz ├── O24x5_h2o-o2_gm_2.0.xyz ├── O24x5_h2o-o2_gm_monA.xyz ├── O24x5_h2o-o2_gm_monB.xyz ├── O24x5_h2o-o2_sp_0.9.xyz ├── O24x5_h2o-o2_sp_1.0.xyz ├── O24x5_h2o-o2_sp_1.2.xyz ├── O24x5_h2o-o2_sp_1.5.xyz ├── O24x5_h2o-o2_sp_2.0.xyz ├── O24x5_h2o-o2_sp_monA.xyz ├── O24x5_h2o-o2_sp_monB.xyz ├── O24x5_h2o-o2h_0.9.xyz ├── O24x5_h2o-o2h_1.0.xyz ├── O24x5_h2o-o2h_1.2.xyz ├── O24x5_h2o-o2h_1.5.xyz ├── O24x5_h2o-o2h_2.0.xyz ├── O24x5_h2o-o2h_monA.xyz ├── O24x5_h2o-o2h_monB.xyz ├── O24x5_h2o-oh_0.9.xyz ├── O24x5_h2o-oh_1.0.xyz ├── O24x5_h2o-oh_1.2.xyz ├── O24x5_h2o-oh_1.5.xyz ├── O24x5_h2o-oh_2.0.xyz ├── O24x5_h2o-oh_monA.xyz ├── O24x5_h2o-oh_monB.xyz ├── O24x5_he2_0.9.xyz ├── O24x5_he2_1.0.xyz ├── O24x5_he2_1.2.xyz ├── O24x5_he2_1.5.xyz ├── O24x5_he2_2.0.xyz ├── O24x5_he2_monA.xyz ├── O24x5_he2_monB.xyz ├── O24x5_hf-co+_0.9.xyz ├── O24x5_hf-co+_1.0.xyz ├── O24x5_hf-co+_1.2.xyz ├── O24x5_hf-co+_1.5.xyz ├── O24x5_hf-co+_2.0.xyz ├── O24x5_hf-co+_monA.xyz ├── O24x5_hf-co+_monB.xyz ├── O24x5_li-nh3_gm_0.9.xyz ├── O24x5_li-nh3_gm_1.0.xyz ├── O24x5_li-nh3_gm_1.2.xyz ├── O24x5_li-nh3_gm_1.5.xyz ├── O24x5_li-nh3_gm_2.0.xyz ├── O24x5_li-nh3_gm_monA.xyz ├── O24x5_li-nh3_gm_monB.xyz ├── O24x5_li-nh3_lm_0.9.xyz ├── O24x5_li-nh3_lm_1.0.xyz ├── O24x5_li-nh3_lm_1.2.xyz ├── O24x5_li-nh3_lm_1.5.xyz ├── O24x5_li-nh3_lm_2.0.xyz ├── O24x5_li-nh3_lm_monA.xyz ├── O24x5_li-nh3_lm_monB.xyz ├── O24x5_li-o2_0.9.xyz ├── O24x5_li-o2_1.0.xyz ├── O24x5_li-o2_1.2.xyz ├── O24x5_li-o2_1.5.xyz ├── O24x5_li-o2_2.0.xyz ├── O24x5_li-o2_monA.xyz ├── O24x5_li-o2_monB.xyz ├── O24x5_na-li_0.9.xyz ├── O24x5_na-li_1.0.xyz ├── O24x5_na-li_1.2.xyz ├── O24x5_na-li_1.5.xyz ├── O24x5_na-li_2.0.xyz ├── O24x5_na-li_monA.xyz ├── O24x5_na-li_monB.xyz ├── O24x5_nh-ar_0.9.xyz ├── O24x5_nh-ar_1.0.xyz ├── O24x5_nh-ar_1.2.xyz ├── O24x5_nh-ar_1.5.xyz ├── O24x5_nh-ar_2.0.xyz ├── O24x5_nh-ar_monA.xyz ├── O24x5_nh-ar_monB.xyz ├── O24x5_nh-he_0.9.xyz ├── O24x5_nh-he_1.0.xyz ├── O24x5_nh-he_1.2.xyz ├── O24x5_nh-he_1.5.xyz ├── O24x5_nh-he_2.0.xyz ├── O24x5_nh-he_monA.xyz ├── O24x5_nh-he_monB.xyz ├── O24x5_nh-nh_0.9.xyz ├── O24x5_nh-nh_1.0.xyz ├── O24x5_nh-nh_1.2.xyz ├── O24x5_nh-nh_1.5.xyz ├── O24x5_nh-nh_2.0.xyz ├── O24x5_nh-nh_monA.xyz ├── O24x5_nh-nh_monB.xyz ├── O24x5_o2-h2_0.9.xyz ├── O24x5_o2-h2_1.0.xyz ├── O24x5_o2-h2_1.2.xyz ├── O24x5_o2-h2_1.5.xyz ├── O24x5_o2-h2_2.0.xyz ├── O24x5_o2-h2_monA.xyz ├── O24x5_o2-h2_monB.xyz ├── O24x5_o2-n2_0.9.xyz ├── O24x5_o2-n2_1.0.xyz ├── O24x5_o2-n2_1.2.xyz ├── O24x5_o2-n2_1.5.xyz ├── O24x5_o2-n2_2.0.xyz ├── O24x5_o2-n2_monA.xyz ├── O24x5_o2-n2_monB.xyz ├── O24x5_o2-o2_0.9.xyz ├── O24x5_o2-o2_1.0.xyz ├── O24x5_o2-o2_1.2.xyz ├── O24x5_o2-o2_1.5.xyz ├── O24x5_o2-o2_2.0.xyz ├── O24x5_o2-o2_monA.xyz ├── O24x5_o2-o2_monB.xyz ├── OEEF_c2h2_0.0.xyz ├── OEEF_c2h2_0.01.xyz ├── OEEF_c2h2_0.02.xyz ├── OEEF_c2h2_0.03.xyz ├── OEEF_c2h2_0.04.xyz ├── OEEF_c2h2_0.05.xyz ├── OEEF_c2h4_0.0.xyz ├── OEEF_c2h4_0.01.xyz ├── OEEF_c2h4_0.02.xyz ├── OEEF_c2h4_0.03.xyz ├── OEEF_c2h4_0.04.xyz ├── OEEF_c2h4_0.05.xyz ├── OEEF_c2h6_0.0.xyz ├── OEEF_c2h6_0.01.xyz ├── OEEF_c2h6_0.02.xyz ├── OEEF_c2h6_0.03.xyz ├── OEEF_c2h6_0.04.xyz ├── OEEF_cl2_0.0.xyz ├── OEEF_cl2_0.01.xyz ├── OEEF_cl2_0.02.xyz ├── OEEF_cl2_0.03.xyz ├── OEEF_cl2_0.04.xyz ├── OEEF_cl2_0.05.xyz ├── OEEF_co_-0.01.xyz ├── OEEF_co_-0.02.xyz ├── OEEF_co_-0.03.xyz ├── OEEF_co_-0.04.xyz ├── OEEF_co_-0.05.xyz ├── OEEF_co_0.0.xyz ├── OEEF_co_0.01.xyz ├── OEEF_co_0.02.xyz ├── OEEF_co_0.03.xyz ├── OEEF_co_0.04.xyz ├── OEEF_co_0.05.xyz ├── OEEF_f2_0.0.xyz ├── OEEF_f2_0.01.xyz ├── OEEF_f2_0.02.xyz ├── OEEF_f2_0.03.xyz ├── OEEF_f2_0.04.xyz ├── OEEF_f2_0.05.xyz ├── OEEF_fluoromethane_-0.01.xyz ├── OEEF_fluoromethane_-0.02.xyz ├── OEEF_fluoromethane_-0.03.xyz ├── OEEF_fluoromethane_-0.04.xyz ├── OEEF_fluoromethane_-0.05.xyz ├── OEEF_fluoromethane_0.0.xyz ├── OEEF_fluoromethane_0.01.xyz ├── OEEF_fluoromethane_0.02.xyz ├── OEEF_fluoromethane_0.03.xyz ├── OEEF_fluoromethane_0.04.xyz ├── OEEF_fluoromethane_0.05.xyz ├── OEEF_formaldehyde_-0.01.xyz ├── OEEF_formaldehyde_-0.02.xyz ├── OEEF_formaldehyde_-0.03.xyz ├── OEEF_formaldehyde_-0.04.xyz ├── OEEF_formaldehyde_-0.05.xyz ├── OEEF_formaldehyde_0.0.xyz ├── OEEF_formaldehyde_0.01.xyz ├── OEEF_formaldehyde_0.02.xyz ├── OEEF_formaldehyde_0.03.xyz ├── OEEF_formaldehyde_0.04.xyz ├── OEEF_formaldehyde_0.05.xyz ├── OEEF_formamide_-0.01.xyz ├── OEEF_formamide_-0.02.xyz ├── OEEF_formamide_-0.03.xyz ├── OEEF_formamide_0.0.xyz ├── OEEF_formamide_0.01.xyz ├── OEEF_formamide_0.02.xyz ├── OEEF_formamide_0.03.xyz ├── OEEF_formamide_0.04.xyz ├── OEEF_formamide_0.05.xyz ├── OEEF_formicacid_-0.01.xyz ├── OEEF_formicacid_-0.02.xyz ├── OEEF_formicacid_-0.03.xyz ├── OEEF_formicacid_-0.04.xyz ├── OEEF_formicacid_-0.05.xyz ├── OEEF_formicacid_0.0.xyz ├── OEEF_formicacid_0.01.xyz ├── OEEF_formicacid_0.02.xyz ├── OEEF_formicacid_0.03.xyz ├── OEEF_formicacid_0.04.xyz ├── OEEF_formicacid_0.05.xyz ├── OEEF_h2_0.0.xyz ├── OEEF_h2_0.01.xyz ├── OEEF_h2_0.02.xyz ├── OEEF_h2_0.03.xyz ├── OEEF_h2_0.04.xyz ├── OEEF_h2_0.05.xyz ├── OEEF_hcl_-0.01.xyz ├── OEEF_hcl_-0.02.xyz ├── OEEF_hcl_-0.03.xyz ├── OEEF_hcl_-0.04.xyz ├── OEEF_hcl_-0.05.xyz ├── OEEF_hcl_0.0.xyz ├── OEEF_hcl_0.01.xyz ├── OEEF_hcl_0.02.xyz ├── OEEF_hcl_0.03.xyz ├── OEEF_hcl_0.04.xyz ├── OEEF_hcl_0.05.xyz ├── OEEF_hcn_-0.01.xyz ├── OEEF_hcn_-0.02.xyz ├── OEEF_hcn_-0.03.xyz ├── OEEF_hcn_-0.04.xyz ├── OEEF_hcn_-0.05.xyz ├── OEEF_hcn_0.0.xyz ├── OEEF_hcn_0.01.xyz ├── OEEF_hcn_0.02.xyz ├── OEEF_hcn_0.03.xyz ├── OEEF_hcn_0.04.xyz ├── OEEF_hcn_0.05.xyz ├── OEEF_hf_-0.01.xyz ├── OEEF_hf_-0.02.xyz ├── OEEF_hf_-0.03.xyz ├── OEEF_hf_-0.04.xyz ├── OEEF_hf_-0.05.xyz ├── OEEF_hf_0.0.xyz ├── OEEF_hf_0.01.xyz ├── OEEF_hf_0.02.xyz ├── OEEF_hf_0.03.xyz ├── OEEF_hf_0.04.xyz ├── OEEF_hf_0.05.xyz ├── OEEF_meoh_-0.01.xyz ├── OEEF_meoh_-0.02.xyz ├── OEEF_meoh_-0.03.xyz ├── OEEF_meoh_-0.04.xyz ├── OEEF_meoh_-0.05.xyz ├── OEEF_meoh_0.0.xyz ├── OEEF_meoh_0.01.xyz ├── OEEF_meoh_0.02.xyz ├── OEEF_meoh_0.03.xyz ├── OEEF_meoh_0.04.xyz ├── OEEF_meoh_0.05.xyz ├── OEEF_methylamine_-0.01.xyz ├── OEEF_methylamine_-0.02.xyz ├── OEEF_methylamine_-0.03.xyz ├── OEEF_methylamine_0.0.xyz ├── OEEF_methylamine_0.01.xyz ├── OEEF_methylamine_0.02.xyz ├── OEEF_methylamine_0.03.xyz ├── OEEF_methylamine_0.04.xyz ├── OEEF_methylene-imine_-0.01.xyz ├── OEEF_methylene-imine_-0.02.xyz ├── OEEF_methylene-imine_-0.03.xyz ├── OEEF_methylene-imine_-0.04.xyz ├── OEEF_methylene-imine_-0.05.xyz ├── OEEF_methylene-imine_0.0.xyz ├── OEEF_methylene-imine_0.01.xyz ├── OEEF_methylene-imine_0.02.xyz ├── OEEF_methylene-imine_0.03.xyz ├── OEEF_methylene-imine_0.04.xyz ├── OEEF_methylene-imine_0.05.xyz ├── OEEF_n2_0.0.xyz ├── OEEF_n2_0.01.xyz ├── OEEF_n2_0.02.xyz ├── OEEF_n2_0.03.xyz ├── OEEF_n2_0.04.xyz ├── OEEF_n2_0.05.xyz ├── ORBH35_CO3B_S01.xyz ├── ORBH35_CO3B_S02.xyz ├── ORBH35_CO3B_S03T.xyz ├── ORBH35_CO3B_S04T.xyz ├── ORBH35_CO3B_T01.xyz ├── ORBH35_CO3B_T02.xyz ├── ORBH35_CO3B_T03T.xyz ├── ORBH35_CO3B_T04T.xyz ├── ORBH35_CO3B_T05T.xyz ├── ORBH35_CO3B_T06T.xyz ├── ORBH35_CO3B_T07T.xyz ├── ORBH35_CO3B_T08.xyz ├── ORBH35_CO3B_T09T.xyz ├── ORBH35_CO3C_T01T.xyz ├── ORBH35_CO3C_T02T.xyz ├── ORBH35_CO3C_tHOOCO.xyz ├── ORBH35_CO3X_CO.xyz ├── ORBH35_CO3X_CO2.xyz ├── ORBH35_CO3X_HO.xyz ├── ORBH35_CO3X_HO2.xyz ├── ORBH35_CO3X_O2_t.xyz ├── ORBH35_CO3X_O_t.xyz ├── ORBH35_VO_TS10.xyz ├── ORBH35_VO_TS11.xyz ├── ORBH35_VO_TS12.xyz ├── ORBH35_VO_TS13.xyz ├── ORBH35_VO_TS14.xyz ├── ORBH35_VO_TS5.xyz ├── ORBH35_VO_TS6.xyz ├── ORBH35_VO_TS7.xyz ├── ORBH35_VO_W1.xyz ├── ORBH35_VO_W2.xyz ├── ORBH35_VO_W3.xyz ├── ORBH35_VO_W4.xyz ├── ORBH35_VO_W5.xyz ├── ORBH35_VO_W6.xyz ├── ORBH35_VO_W7.xyz ├── ORBH35_VO_W8.xyz ├── P34_A01_H.xyz ├── P34_A06_C.xyz ├── P34_A07_N.xyz ├── P34_A08_O.xyz ├── P34_A09_F.xyz ├── P34_A17_Cl.xyz ├── P34_A31_Ga.xyz ├── P34_A32_Ge.xyz ├── P34_A33_As.xyz ├── P34_A34_Se.xyz ├── P34_A35_Br.xyz ├── P34_A36_Kr.xyz ├── P34_A49_In.xyz ├── P34_A50_Sn.xyz ├── P34_A51_Sb.xyz ├── P34_A52_Te.xyz ├── P34_A53_I.xyz ├── P34_A54_Xe.xyz ├── P34_P01_Ga2.xyz ├── P34_P02_As2.xyz ├── P34_P03_Br2.xyz ├── P34_P04_AsN.xyz ├── P34_P05_BrO.xyz ├── P34_P06_HBr.xyz ├── P34_P07_GaF.xyz ├── P34_P08_GaCl.xyz ├── P34_P09_GaBr.xyz ├── P34_P10_AsF.xyz ├── P34_P11_AsCl.xyz ├── P34_P12_BrF.xyz ├── P34_P13_BrCl.xyz ├── P34_P14_I2.xyz ├── P34_P15_HI.xyz ├── P34_P16_IO.xyz ├── P34_P17_ICl.xyz ├── P34_P18_IBr.xyz ├── P34_P19_IOH.xyz ├── P34_P20_ICN.xyz ├── P34_P21_MeI.xyz ├── P34_P22_EtI.xyz ├── P34_P23_CH2CHI.xyz ├── P34_P24_CF3I.xyz ├── P34_P25_IC2H4OH.xyz ├── P34_P26_PhI.xyz ├── P34_P27_SnH4.xyz ├── P34_P28_SnF4.xyz ├── P34_P29_SnCl4.xyz ├── P34_P30_SnBr4.xyz ├── P34_P31_SnI4.xyz ├── P34_P32_SnMe4.xyz ├── P34_P33_SnMe3H.xyz ├── P34_P34_SnMe3F.xyz ├── P34_P35_SnMe3Cl.xyz ├── P34_P36_SnMe3Br.xyz ├── P34_P37_SnMe3I.xyz ├── P34_P38_SnF3H.xyz ├── P34_P39_SnCl3H.xyz ├── P34_P40_SnBr3H.xyz ├── P34_P41_SnMe2H2.xyz ├── P34_P42_SnMe2F2.xyz ├── P34_P43_SnMe2Cl2.xyz ├── P34_P44_SnMe2Br2.xyz ├── P34_P45C_Ga.xyz ├── P34_P46C_Ge.xyz ├── P34_P47C_As.xyz ├── P34_P48C_Se.xyz ├── P34_P49C_Br.xyz ├── P34_P50C_Kr.xyz ├── P34_P51C_In.xyz ├── P34_P52C_Sn.xyz ├── P34_P53C_Sb.xyz ├── P34_P54C_Te.xyz ├── P34_P55C_I.xyz ├── P34_P56C_Xe.xyz ├── P34_P57C_IO.xyz ├── P34_P58C_MeI.xyz ├── P34_P59C_PhI.xyz ├── P34_P60A_Ga.xyz ├── P34_P61A_Ge.xyz ├── P34_P62A_As.xyz ├── P34_P63A_Se.xyz ├── P34_P64A_Br.xyz ├── P34_P65A_In.xyz ├── P34_P66A_Sn.xyz ├── P34_P67A_Sb.xyz ├── P34_P68A_I.xyz ├── PA26_A.xyz ├── PA26_Ap.xyz ├── PA26_C.xyz ├── PA26_Cp.xyz ├── PA26_G.xyz ├── PA26_Gp.xyz ├── PA26_T.xyz ├── PA26_Tp.xyz ├── PA26_ass.xyz ├── PA26_assp.xyz ├── PA26_c2f6.xyz ├── PA26_c2f6p.xyz ├── PA26_c2h2.xyz ├── PA26_c2h2p.xyz ├── PA26_ch2s.xyz ├── PA26_ch2sp.xyz ├── PA26_ch3cooh.xyz ├── PA26_ch3coohp.xyz ├── PA26_cys.xyz ├── PA26_cysp.xyz ├── PA26_ethanol.xyz ├── PA26_ethanolp.xyz ├── PA26_gly.xyz ├── PA26_glyp.xyz ├── PA26_h2.xyz ├── PA26_h2o.xyz ├── PA26_h2op.xyz ├── PA26_h2p.xyz ├── PA26_h2s.xyz ├── PA26_h2sp.xyz ├── PA26_hcl.xyz ├── PA26_hclp.xyz ├── PA26_nh3.xyz ├── PA26_nh3p.xyz ├── PA26_p2.xyz ├── PA26_p2p.xyz ├── PA26_p4.xyz ├── PA26_p4p.xyz ├── PA26_p6.xyz ├── PA26_p6p.xyz ├── PA26_p8.xyz ├── PA26_p8p.xyz ├── PA26_ph3.xyz ├── PA26_ph3p.xyz ├── PA26_phenol.xyz ├── PA26_phenolp.xyz ├── PA26_phosphapyrrol.xyz ├── PA26_phosphapyrrolp.xyz ├── PA26_si2h6.xyz ├── PA26_si2h6p.xyz ├── PA26_sih4.xyz ├── PA26_sih4p.xyz ├── PArel_A0.xyz ├── PArel_A1.xyz ├── PArel_A2.xyz ├── PArel_T0.xyz ├── PArel_T1.xyz ├── PArel_T2.xyz ├── PArel_T3.xyz ├── PArel_aminocoohbz1.xyz ├── PArel_aminocoohbz2.xyz ├── PArel_aminocoohbz3.xyz ├── PArel_arg0.xyz ├── PArel_arg2.xyz ├── PArel_c2cl41.xyz ├── PArel_c2cl42.xyz ├── PArel_c2cl43.xyz ├── PArel_c2h2f41.xyz ├── PArel_c2h2f42.xyz ├── PArel_h2s2o71.xyz ├── PArel_h2s2o72.xyz ├── PArel_h4p2o71.xyz ├── PArel_h4p2o72.xyz ├── PArel_his0.xyz ├── PArel_his1.xyz ├── PArel_his2.xyz ├── PArel_his3.xyz ├── PArel_s4o41.xyz ├── PArel_s4o42.xyz ├── PArel_sugar0.xyz ├── PArel_sugar2.xyz ├── PArel_sugar3.xyz ├── PArel_sugar4.xyz ├── PCONF21_114.xyz ├── PCONF21_215.xyz ├── PCONF21_224.xyz ├── PCONF21_300.xyz ├── PCONF21_357.xyz ├── PCONF21_366.xyz ├── PCONF21_412.xyz ├── PCONF21_444.xyz ├── PCONF21_470.xyz ├── PCONF21_691.xyz ├── PCONF21_99.xyz ├── PCONF21_GLY_aL.xyz ├── PCONF21_GLY_aR.xyz ├── PCONF21_GLY_ab.xyz ├── PCONF21_GLY_b.xyz ├── PCONF21_GLY_pII.xyz ├── PCONF21_SER_aL.xyz ├── PCONF21_SER_aR.xyz ├── PCONF21_SER_ab.xyz ├── PCONF21_SER_b.xyz ├── PCONF21_SER_pII.xyz ├── PNICO23_1.xyz ├── PNICO23_10.xyz ├── PNICO23_10a.xyz ├── PNICO23_10b.xyz ├── PNICO23_11.xyz ├── PNICO23_11a.xyz ├── PNICO23_11b.xyz ├── PNICO23_12.xyz ├── PNICO23_12a.xyz ├── PNICO23_12b.xyz ├── PNICO23_13.xyz ├── PNICO23_13a.xyz ├── PNICO23_13b.xyz ├── PNICO23_14.xyz ├── PNICO23_14a.xyz ├── PNICO23_14b.xyz ├── PNICO23_15.xyz ├── PNICO23_15a.xyz ├── PNICO23_15b.xyz ├── PNICO23_16.xyz ├── PNICO23_16a.xyz ├── PNICO23_16b.xyz ├── PNICO23_17.xyz ├── PNICO23_17a.xyz ├── PNICO23_17b.xyz ├── PNICO23_18.xyz ├── PNICO23_18a.xyz ├── PNICO23_18b.xyz ├── PNICO23_19.xyz ├── PNICO23_19a.xyz ├── PNICO23_19b.xyz ├── PNICO23_1a.xyz ├── PNICO23_1b.xyz ├── PNICO23_2.xyz ├── PNICO23_20.xyz ├── PNICO23_20a.xyz ├── PNICO23_20b.xyz ├── PNICO23_21.xyz ├── PNICO23_21a.xyz ├── PNICO23_21b.xyz ├── PNICO23_22.xyz ├── PNICO23_22a.xyz ├── PNICO23_22b.xyz ├── PNICO23_23.xyz ├── PNICO23_23a.xyz ├── PNICO23_23b.xyz ├── PNICO23_2a.xyz ├── PNICO23_2b.xyz ├── PNICO23_3.xyz ├── PNICO23_3a.xyz ├── PNICO23_3b.xyz ├── PNICO23_4.xyz ├── PNICO23_4a.xyz ├── PNICO23_4b.xyz ├── PNICO23_5.xyz ├── PNICO23_5a.xyz ├── PNICO23_5b.xyz ├── PNICO23_6.xyz ├── PNICO23_6a.xyz ├── PNICO23_6b.xyz ├── PNICO23_7.xyz ├── PNICO23_7a.xyz ├── PNICO23_7b.xyz ├── PNICO23_8.xyz ├── PNICO23_8a.xyz ├── PNICO23_8b.xyz ├── PNICO23_9.xyz ├── PNICO23_9a.xyz ├── PNICO23_9b.xyz ├── PX13_h2o_2.xyz ├── PX13_h2o_2_ts.xyz ├── PX13_h2o_3.xyz ├── PX13_h2o_3_ts.xyz ├── PX13_h2o_5.xyz ├── PX13_h2o_5_ts.xyz ├── PX13_h2o_6.xyz ├── PX13_h2o_6_ts.xyz ├── PX13_hf_2.xyz ├── PX13_hf_2_ts.xyz ├── PX13_hf_3.xyz ├── PX13_hf_3_ts.xyz ├── PX13_hf_6.xyz ├── PX13_hf_6_ts.xyz ├── PX13_nh3_2.xyz ├── PX13_nh3_2_ts.xyz ├── PX13_nh3_3.xyz ├── PX13_nh3_3_ts.xyz ├── Pol130_AlF.xyz ├── Pol130_AlF0+.xyz ├── Pol130_AlF0-.xyz ├── Pol130_AlF2+.xyz ├── Pol130_AlF2-.xyz ├── Pol130_Ar.xyz ├── Pol130_Ar0+.xyz ├── Pol130_Ar0-.xyz ├── Pol130_BF.xyz ├── Pol130_BF0+.xyz ├── Pol130_BF0-.xyz ├── Pol130_BF2+.xyz ├── Pol130_BF2-.xyz ├── Pol130_BH2.xyz ├── Pol130_BH20+.xyz ├── Pol130_BH20-.xyz ├── Pol130_BH21+.xyz ├── Pol130_BH21-.xyz ├── Pol130_BH22+.xyz ├── Pol130_BH22-.xyz ├── Pol130_BH2Cl.xyz ├── Pol130_BH2Cl0+.xyz ├── Pol130_BH2Cl0-.xyz ├── Pol130_BH2Cl1+.xyz ├── Pol130_BH2Cl1-.xyz ├── Pol130_BH2Cl2+.xyz ├── Pol130_BH2Cl2-.xyz ├── Pol130_BH2F.xyz ├── Pol130_BH2F0+.xyz ├── Pol130_BH2F0-.xyz ├── Pol130_BH2F1+.xyz ├── Pol130_BH2F1-.xyz ├── Pol130_BH2F2+.xyz ├── Pol130_BH2F2-.xyz ├── Pol130_BH3.xyz ├── Pol130_BH30+.xyz ├── Pol130_BH30-.xyz ├── Pol130_BH32+.xyz ├── Pol130_BH32-.xyz ├── Pol130_BHF2.xyz ├── Pol130_BHF20+.xyz ├── Pol130_BHF20-.xyz ├── Pol130_BHF21+.xyz ├── Pol130_BHF21-.xyz ├── Pol130_BHF22+.xyz ├── Pol130_BHF22-.xyz ├── Pol130_BO.xyz ├── Pol130_BO0+.xyz ├── Pol130_BO0-.xyz ├── Pol130_BO2+.xyz ├── Pol130_BO2-.xyz ├── Pol130_BS.xyz ├── Pol130_BS0+.xyz ├── Pol130_BS0-.xyz ├── Pol130_BS2+.xyz ├── Pol130_BS2-.xyz ├── Pol130_Be.xyz ├── Pol130_Be0+.xyz ├── Pol130_Be0-.xyz ├── Pol130_BeH.xyz ├── Pol130_BeH0+.xyz ├── Pol130_BeH0-.xyz ├── Pol130_BeH2+.xyz ├── Pol130_BeH2-.xyz ├── Pol130_BeH2.xyz ├── Pol130_BeH21+.xyz ├── Pol130_BeH21-.xyz ├── Pol130_BeH22+.xyz ├── Pol130_BeH22-.xyz ├── Pol130_C2H.xyz ├── Pol130_C2H0+.xyz ├── Pol130_C2H0-.xyz ├── Pol130_C2H2+.xyz ├── Pol130_C2H2-.xyz ├── Pol130_C2H2.xyz ├── Pol130_C2H20+.xyz ├── Pol130_C2H20-.xyz ├── Pol130_C2H22+.xyz ├── Pol130_C2H22-.xyz ├── Pol130_C2H3.xyz ├── Pol130_C2H30+.xyz ├── Pol130_C2H30-.xyz ├── Pol130_C2H31+.xyz ├── Pol130_C2H31-.xyz ├── Pol130_C2H32+.xyz ├── Pol130_C2H32-.xyz ├── Pol130_C2H4.xyz ├── Pol130_C2H40+.xyz ├── Pol130_C2H40-.xyz ├── Pol130_C2H41+.xyz ├── Pol130_C2H41-.xyz ├── Pol130_C2H42+.xyz ├── Pol130_C2H42-.xyz ├── Pol130_CH2-t.xyz ├── Pol130_CH2-t0+.xyz ├── Pol130_CH2-t0-.xyz ├── Pol130_CH2-t1+.xyz ├── Pol130_CH2-t1-.xyz ├── Pol130_CH2-t2+.xyz ├── Pol130_CH2-t2-.xyz ├── Pol130_CH2BH.xyz ├── Pol130_CH2BH0+.xyz ├── Pol130_CH2BH0-.xyz ├── Pol130_CH2BH1+.xyz ├── Pol130_CH2BH1-.xyz ├── Pol130_CH2BH2+.xyz ├── Pol130_CH2BH2-.xyz ├── Pol130_CH2F.xyz ├── Pol130_CH2F0+.xyz ├── Pol130_CH2F0-.xyz ├── Pol130_CH2F1+.xyz ├── Pol130_CH2F1-.xyz ├── Pol130_CH2F2+.xyz ├── Pol130_CH2F2-.xyz ├── Pol130_CH2NH.xyz ├── Pol130_CH2NH0+.xyz ├── Pol130_CH2NH0-.xyz ├── Pol130_CH2NH1+.xyz ├── Pol130_CH2NH1-.xyz ├── Pol130_CH2NH2+.xyz ├── Pol130_CH2NH2-.xyz ├── Pol130_CH2PH.xyz ├── Pol130_CH2PH0+.xyz ├── Pol130_CH2PH0-.xyz ├── Pol130_CH2PH1+.xyz ├── Pol130_CH2PH1-.xyz ├── Pol130_CH2PH2+.xyz ├── Pol130_CH2PH2-.xyz ├── Pol130_CH3.xyz ├── Pol130_CH30+.xyz ├── Pol130_CH30-.xyz ├── Pol130_CH32+.xyz ├── Pol130_CH32-.xyz ├── Pol130_CH3BH2.xyz ├── Pol130_CH3BH20+.xyz ├── Pol130_CH3BH20-.xyz ├── Pol130_CH3BH21+.xyz ├── Pol130_CH3BH21-.xyz ├── Pol130_CH3BH22+.xyz ├── Pol130_CH3BH22-.xyz ├── Pol130_CH3Cl.xyz ├── Pol130_CH3Cl0+.xyz ├── Pol130_CH3Cl0-.xyz ├── Pol130_CH3Cl2+.xyz ├── Pol130_CH3Cl2-.xyz ├── Pol130_CH3F.xyz ├── Pol130_CH3F0+.xyz ├── Pol130_CH3F0-.xyz ├── Pol130_CH3F2+.xyz ├── Pol130_CH3F2-.xyz ├── Pol130_CH3NH2.xyz ├── Pol130_CH3NH20+.xyz ├── Pol130_CH3NH20-.xyz ├── Pol130_CH3NH21+.xyz ├── Pol130_CH3NH21-.xyz ├── Pol130_CH3NH22+.xyz ├── Pol130_CH3NH22-.xyz ├── Pol130_CH3O.xyz ├── Pol130_CH3O0+.xyz ├── Pol130_CH3O0-.xyz ├── Pol130_CH3O2+.xyz ├── Pol130_CH3O2-.xyz ├── Pol130_CH3OH.xyz ├── Pol130_CH3OH0+.xyz ├── Pol130_CH3OH0-.xyz ├── Pol130_CH3OH1+.xyz ├── Pol130_CH3OH1-.xyz ├── Pol130_CH3OH2+.xyz ├── Pol130_CH3OH2-.xyz ├── Pol130_CH3SH.xyz ├── Pol130_CH3SH0+.xyz ├── Pol130_CH3SH0-.xyz ├── Pol130_CH3SH1+.xyz ├── Pol130_CH3SH1-.xyz ├── Pol130_CH3SH2+.xyz ├── Pol130_CH3SH2-.xyz ├── Pol130_CH4.xyz ├── Pol130_CH40+.xyz ├── Pol130_CH40-.xyz ├── Pol130_CN.xyz ├── Pol130_CN0+.xyz ├── Pol130_CN0-.xyz ├── Pol130_CN2+.xyz ├── Pol130_CN2-.xyz ├── Pol130_CO.xyz ├── Pol130_CO0+.xyz ├── Pol130_CO0-.xyz ├── Pol130_CO2+.xyz ├── Pol130_CO2-.xyz ├── Pol130_CO2.xyz ├── Pol130_CO20+.xyz ├── Pol130_CO20-.xyz ├── Pol130_CO22+.xyz ├── Pol130_CO22-.xyz ├── Pol130_CS.xyz ├── Pol130_CS0+.xyz ├── Pol130_CS0-.xyz ├── Pol130_CS2+.xyz ├── Pol130_CS2-.xyz ├── Pol130_CSO.xyz ├── Pol130_CSO0+.xyz ├── Pol130_CSO0-.xyz ├── Pol130_CSO2+.xyz ├── Pol130_CSO2-.xyz ├── Pol130_Cl2.xyz ├── Pol130_Cl20+.xyz ├── Pol130_Cl20-.xyz ├── Pol130_Cl22+.xyz ├── Pol130_Cl22-.xyz ├── Pol130_ClCN.xyz ├── Pol130_ClCN0+.xyz ├── Pol130_ClCN0-.xyz ├── Pol130_ClCN2+.xyz ├── Pol130_ClCN2-.xyz ├── Pol130_ClF.xyz ├── Pol130_ClF1+.xyz ├── Pol130_ClF1-.xyz ├── Pol130_ClF2+.xyz ├── Pol130_ClF2-.xyz ├── Pol130_F2.xyz ├── Pol130_F20+.xyz ├── Pol130_F20-.xyz ├── Pol130_F22+.xyz ├── Pol130_F22-.xyz ├── Pol130_FCN.xyz ├── Pol130_FCN0+.xyz ├── Pol130_FCN0-.xyz ├── Pol130_FCN2+.xyz ├── Pol130_FCN2-.xyz ├── Pol130_FCO.xyz ├── Pol130_FCO0+.xyz ├── Pol130_FCO0-.xyz ├── Pol130_FCO1+.xyz ├── Pol130_FCO1-.xyz ├── Pol130_FCO2+.xyz ├── Pol130_FCO2-.xyz ├── Pol130_FH-OH.xyz ├── Pol130_FH-OH0+.xyz ├── Pol130_FH-OH0-.xyz ├── Pol130_FH-OH1+.xyz ├── Pol130_FH-OH1-.xyz ├── Pol130_FH-OH2+.xyz ├── Pol130_FH-OH2-.xyz ├── Pol130_FNO.xyz ├── Pol130_FNO0+.xyz ├── Pol130_FNO0-.xyz ├── Pol130_FNO1+.xyz ├── Pol130_FNO1-.xyz ├── Pol130_FNO2+.xyz ├── Pol130_FNO2-.xyz ├── Pol130_H.xyz ├── Pol130_H0+.xyz ├── Pol130_H0-.xyz ├── Pol130_H2.xyz ├── Pol130_H20+.xyz ├── Pol130_H20-.xyz ├── Pol130_H22+.xyz ├── Pol130_H22-.xyz ├── Pol130_H2CN.xyz ├── Pol130_H2CN0+.xyz ├── Pol130_H2CN0-.xyz ├── Pol130_H2CN1+.xyz ├── Pol130_H2CN1-.xyz ├── Pol130_H2CN2+.xyz ├── Pol130_H2CN2-.xyz ├── Pol130_H2O-Li.xyz ├── Pol130_H2O-Li0+.xyz ├── Pol130_H2O-Li0-.xyz ├── Pol130_H2O-Li1+.xyz ├── Pol130_H2O-Li1-.xyz ├── Pol130_H2O-Li2+.xyz ├── Pol130_H2O-Li2-.xyz ├── Pol130_H2O.xyz ├── Pol130_H2O0+.xyz ├── Pol130_H2O0-.xyz ├── Pol130_H2O1+.xyz ├── Pol130_H2O1-.xyz ├── Pol130_H2O2+.xyz ├── Pol130_H2O2-.xyz ├── Pol130_HBO.xyz ├── Pol130_HBO0+.xyz ├── Pol130_HBO0-.xyz ├── Pol130_HBO2+.xyz ├── Pol130_HBO2-.xyz ├── Pol130_HBS.xyz ├── Pol130_HBS0+.xyz ├── Pol130_HBS0-.xyz ├── Pol130_HBS2+.xyz ├── Pol130_HBS2-.xyz ├── Pol130_HCCCl.xyz ├── Pol130_HCCCl0+.xyz ├── Pol130_HCCCl0-.xyz ├── Pol130_HCCCl2+.xyz ├── Pol130_HCCCl2-.xyz ├── Pol130_HCCF.xyz ├── Pol130_HCCF0+.xyz ├── Pol130_HCCF0-.xyz ├── Pol130_HCCF2+.xyz ├── Pol130_HCCF2-.xyz ├── Pol130_HCHO.xyz ├── Pol130_HCHO0+.xyz ├── Pol130_HCHO0-.xyz ├── Pol130_HCHO1+.xyz ├── Pol130_HCHO1-.xyz ├── Pol130_HCHO2+.xyz ├── Pol130_HCHO2-.xyz ├── Pol130_HCHS.xyz ├── Pol130_HCHS0+.xyz ├── Pol130_HCHS0-.xyz ├── Pol130_HCHS1+.xyz ├── Pol130_HCHS1-.xyz ├── Pol130_HCHS2+.xyz ├── Pol130_HCHS2-.xyz ├── Pol130_HCN.xyz ├── Pol130_HCN0+.xyz ├── Pol130_HCN0-.xyz ├── Pol130_HCN2+.xyz ├── Pol130_HCN2-.xyz ├── Pol130_HCO.xyz ├── Pol130_HCO0+.xyz ├── Pol130_HCO0-.xyz ├── Pol130_HCO1+.xyz ├── Pol130_HCO1-.xyz ├── Pol130_HCO2+.xyz ├── Pol130_HCO2-.xyz ├── Pol130_HCONH2.xyz ├── Pol130_HCONH20+.xyz ├── Pol130_HCONH20-.xyz ├── Pol130_HCONH21+.xyz ├── Pol130_HCONH21-.xyz ├── Pol130_HCONH22+.xyz ├── Pol130_HCONH22-.xyz ├── Pol130_HCOOH.xyz ├── Pol130_HCOOH0+.xyz ├── Pol130_HCOOH0-.xyz ├── Pol130_HCOOH1+.xyz ├── Pol130_HCOOH1-.xyz ├── Pol130_HCOOH2+.xyz ├── Pol130_HCOOH2-.xyz ├── Pol130_HCP.xyz ├── Pol130_HCP0+.xyz ├── Pol130_HCP0-.xyz ├── Pol130_HCP2+.xyz ├── Pol130_HCP2-.xyz ├── Pol130_HCl.xyz ├── Pol130_HCl0+.xyz ├── Pol130_HCl0-.xyz ├── Pol130_HCl2+.xyz ├── Pol130_HCl2-.xyz ├── Pol130_HF.xyz ├── Pol130_HF0+.xyz ├── Pol130_HF0-.xyz ├── Pol130_HF2+.xyz ├── Pol130_HF2-.xyz ├── Pol130_HNC.xyz ├── Pol130_HNC0+.xyz ├── Pol130_HNC0-.xyz ├── Pol130_HNC2+.xyz ├── Pol130_HNC2-.xyz ├── Pol130_HNO.xyz ├── Pol130_HNO0+.xyz ├── Pol130_HNO0-.xyz ├── Pol130_HNO1+.xyz ├── Pol130_HNO1-.xyz ├── Pol130_HNO2+.xyz ├── Pol130_HNO2-.xyz ├── Pol130_HNS.xyz ├── Pol130_HNS0+.xyz ├── Pol130_HNS0-.xyz ├── Pol130_HNS1+.xyz ├── Pol130_HNS1-.xyz ├── Pol130_HNS2+.xyz ├── Pol130_HNS2-.xyz ├── Pol130_HO2.xyz ├── Pol130_HO20+.xyz ├── Pol130_HO20-.xyz ├── Pol130_HO21+.xyz ├── Pol130_HO21-.xyz ├── Pol130_HO22+.xyz ├── Pol130_HO22-.xyz ├── Pol130_HOCl.xyz ├── Pol130_HOCl0+.xyz ├── Pol130_HOCl0-.xyz ├── Pol130_HOCl1+.xyz ├── Pol130_HOCl1-.xyz ├── Pol130_HOCl2+.xyz ├── Pol130_HOCl2-.xyz ├── Pol130_HOF.xyz ├── Pol130_HOF0+.xyz ├── Pol130_HOF0-.xyz ├── Pol130_HOF1+.xyz ├── Pol130_HOF1-.xyz ├── Pol130_HOF2+.xyz ├── Pol130_HOF2-.xyz ├── Pol130_HOOH.xyz ├── Pol130_HOOH0+.xyz ├── Pol130_HOOH0-.xyz ├── Pol130_HOOH1+.xyz ├── Pol130_HOOH1-.xyz ├── Pol130_HOOH2+.xyz ├── Pol130_HOOH2-.xyz ├── Pol130_He.xyz ├── Pol130_He0+.xyz ├── Pol130_He0-.xyz ├── Pol130_Li2.xyz ├── Pol130_Li20+.xyz ├── Pol130_Li20-.xyz ├── Pol130_Li22+.xyz ├── Pol130_Li22-.xyz ├── Pol130_LiBH4.xyz ├── Pol130_LiBH40+.xyz ├── Pol130_LiBH40-.xyz ├── Pol130_LiBH42+.xyz ├── Pol130_LiBH42-.xyz ├── Pol130_LiCN.xyz ├── Pol130_LiCN0+.xyz ├── Pol130_LiCN0-.xyz ├── Pol130_LiCN1+.xyz ├── Pol130_LiCN1-.xyz ├── Pol130_LiCN2+.xyz ├── Pol130_LiCN2-.xyz ├── Pol130_LiCl.xyz ├── Pol130_LiCl0+.xyz ├── Pol130_LiCl0-.xyz ├── Pol130_LiCl2+.xyz ├── Pol130_LiCl2-.xyz ├── Pol130_LiH.xyz ├── Pol130_LiH0+.xyz ├── Pol130_LiH0-.xyz ├── Pol130_LiH2+.xyz ├── Pol130_LiH2-.xyz ├── Pol130_Mg.xyz ├── Pol130_Mg0+.xyz ├── Pol130_Mg0-.xyz ├── Pol130_Mg2.xyz ├── Pol130_Mg20+.xyz ├── Pol130_Mg20-.xyz ├── Pol130_Mg22+.xyz ├── Pol130_Mg22-.xyz ├── Pol130_N.xyz ├── Pol130_N0+.xyz ├── Pol130_N0-.xyz ├── Pol130_N2.xyz ├── Pol130_N20+.xyz ├── Pol130_N20-.xyz ├── Pol130_N22+.xyz ├── Pol130_N22-.xyz ├── Pol130_N2H2.xyz ├── Pol130_N2H20+.xyz ├── Pol130_N2H20-.xyz ├── Pol130_N2H21+.xyz ├── Pol130_N2H21-.xyz ├── Pol130_N2H22+.xyz ├── Pol130_N2H22-.xyz ├── Pol130_N2H4.xyz ├── Pol130_N2H40+.xyz ├── Pol130_N2H40-.xyz ├── Pol130_N2H41+.xyz ├── Pol130_N2H41-.xyz ├── Pol130_N2H42+.xyz ├── Pol130_N2H42-.xyz ├── Pol130_NCO.xyz ├── Pol130_NCO0+.xyz ├── Pol130_NCO0-.xyz ├── Pol130_NCO2+.xyz ├── Pol130_NCO2-.xyz ├── Pol130_NH.xyz ├── Pol130_NH0+.xyz ├── Pol130_NH0-.xyz ├── Pol130_NH2+.xyz ├── Pol130_NH2-.xyz ├── Pol130_NH2.xyz ├── Pol130_NH20+.xyz ├── Pol130_NH20-.xyz ├── Pol130_NH21+.xyz ├── Pol130_NH21-.xyz ├── Pol130_NH22+.xyz ├── Pol130_NH22-.xyz ├── Pol130_NH2Cl.xyz ├── Pol130_NH2Cl0+.xyz ├── Pol130_NH2Cl0-.xyz ├── Pol130_NH2Cl1+.xyz ├── Pol130_NH2Cl1-.xyz ├── Pol130_NH2Cl2+.xyz ├── Pol130_NH2Cl2-.xyz ├── Pol130_NH2F.xyz ├── Pol130_NH2F0+.xyz ├── Pol130_NH2F0-.xyz ├── Pol130_NH2F1+.xyz ├── Pol130_NH2F1-.xyz ├── Pol130_NH2F2+.xyz ├── Pol130_NH2F2-.xyz ├── Pol130_NH2OH.xyz ├── Pol130_NH2OH0+.xyz ├── Pol130_NH2OH0-.xyz ├── Pol130_NH2OH1+.xyz ├── Pol130_NH2OH1-.xyz ├── Pol130_NH2OH2+.xyz ├── Pol130_NH2OH2-.xyz ├── Pol130_NH3.xyz ├── Pol130_NH30+.xyz ├── Pol130_NH30-.xyz ├── Pol130_NH32+.xyz ├── Pol130_NH32-.xyz ├── Pol130_NH3O.xyz ├── Pol130_NH3O0+.xyz ├── Pol130_NH3O0-.xyz ├── Pol130_NH3O2+.xyz ├── Pol130_NH3O2-.xyz ├── Pol130_NO.xyz ├── Pol130_NO0+.xyz ├── Pol130_NO0-.xyz ├── Pol130_NO2+.xyz ├── Pol130_NO2-.xyz ├── Pol130_NOCl.xyz ├── Pol130_NOCl0+.xyz ├── Pol130_NOCl0-.xyz ├── Pol130_NOCl1+.xyz ├── Pol130_NOCl1-.xyz ├── Pol130_NOCl2+.xyz ├── Pol130_NOCl2-.xyz ├── Pol130_NP.xyz ├── Pol130_NP0+.xyz ├── Pol130_NP0-.xyz ├── Pol130_NP2+.xyz ├── Pol130_NP2-.xyz ├── Pol130_Na.xyz ├── Pol130_Na0+.xyz ├── Pol130_Na0-.xyz ├── Pol130_Na2.xyz ├── Pol130_Na20+.xyz ├── Pol130_Na20-.xyz ├── Pol130_Na22+.xyz ├── Pol130_Na22-.xyz ├── Pol130_NaCN.xyz ├── Pol130_NaCN0+.xyz ├── Pol130_NaCN0-.xyz ├── Pol130_NaCN1+.xyz ├── Pol130_NaCN1-.xyz ├── Pol130_NaCN2+.xyz ├── Pol130_NaCN2-.xyz ├── Pol130_NaCl.xyz ├── Pol130_NaCl0+.xyz ├── Pol130_NaCl0-.xyz ├── Pol130_NaCl2+.xyz ├── Pol130_NaCl2-.xyz ├── Pol130_NaH.xyz ├── Pol130_NaH0+.xyz ├── Pol130_NaH0-.xyz ├── Pol130_NaH2+.xyz ├── Pol130_NaH2-.xyz ├── Pol130_NaLi.xyz ├── Pol130_NaLi0+.xyz ├── Pol130_NaLi0-.xyz ├── Pol130_NaLi2+.xyz ├── Pol130_NaLi2-.xyz ├── Pol130_Ne.xyz ├── Pol130_Ne0+.xyz ├── Pol130_Ne0-.xyz ├── Pol130_O2.xyz ├── Pol130_O20+.xyz ├── Pol130_O20-.xyz ├── Pol130_O22+.xyz ├── Pol130_O22-.xyz ├── Pol130_O3.xyz ├── Pol130_O30+.xyz ├── Pol130_O30-.xyz ├── Pol130_O31+.xyz ├── Pol130_O31-.xyz ├── Pol130_O32+.xyz ├── Pol130_O32-.xyz ├── Pol130_OCl.xyz ├── Pol130_OCl0+.xyz ├── Pol130_OCl0-.xyz ├── Pol130_OCl2+.xyz ├── Pol130_OCl2-.xyz ├── Pol130_OCl2.xyz ├── Pol130_OCl20+.xyz ├── Pol130_OCl20-.xyz ├── Pol130_OCl21+.xyz ├── Pol130_OCl21-.xyz ├── Pol130_OCl22+.xyz ├── Pol130_OCl22-.xyz ├── Pol130_OF.xyz ├── Pol130_OF0+.xyz ├── Pol130_OF0-.xyz ├── Pol130_OF2+.xyz ├── Pol130_OF2-.xyz ├── Pol130_OF2.xyz ├── Pol130_OF20+.xyz ├── Pol130_OF20-.xyz ├── Pol130_OF21+.xyz ├── Pol130_OF21-.xyz ├── Pol130_OF22+.xyz ├── Pol130_OF22-.xyz ├── Pol130_OH.xyz ├── Pol130_OH2+.xyz ├── Pol130_OH2-.xyz ├── Pol130_P.xyz ├── Pol130_P0+.xyz ├── Pol130_P0-.xyz ├── Pol130_P2.xyz ├── Pol130_P20+.xyz ├── Pol130_P20-.xyz ├── Pol130_P22+.xyz ├── Pol130_P22-.xyz ├── Pol130_P2H4.xyz ├── Pol130_P2H40+.xyz ├── Pol130_P2H40-.xyz ├── Pol130_P2H41+.xyz ├── Pol130_P2H41-.xyz ├── Pol130_P2H42+.xyz ├── Pol130_P2H42-.xyz ├── Pol130_PH.xyz ├── Pol130_PH0+.xyz ├── Pol130_PH0-.xyz ├── Pol130_PH2+.xyz ├── Pol130_PH2-.xyz ├── Pol130_PH2.xyz ├── Pol130_PH20+.xyz ├── Pol130_PH20-.xyz ├── Pol130_PH21+.xyz ├── Pol130_PH21-.xyz ├── Pol130_PH22+.xyz ├── Pol130_PH22-.xyz ├── Pol130_PH2OH.xyz ├── Pol130_PH2OH0+.xyz ├── Pol130_PH2OH0-.xyz ├── Pol130_PH2OH1+.xyz ├── Pol130_PH2OH1-.xyz ├── Pol130_PH2OH2+.xyz ├── Pol130_PH2OH2-.xyz ├── Pol130_PH3.xyz ├── Pol130_PH30+.xyz ├── Pol130_PH30-.xyz ├── Pol130_PH32+.xyz ├── Pol130_PH32-.xyz ├── Pol130_PH3O.xyz ├── Pol130_PH3O0+.xyz ├── Pol130_PH3O0-.xyz ├── Pol130_PH3O2+.xyz ├── Pol130_PH3O2-.xyz ├── Pol130_PS.xyz ├── Pol130_PS2+.xyz ├── Pol130_PS2-.xyz ├── Pol130_S2.xyz ├── Pol130_S20+.xyz ├── Pol130_S20-.xyz ├── Pol130_S22+.xyz ├── Pol130_S22-.xyz ├── Pol130_S2H2.xyz ├── Pol130_S2H20+.xyz ├── Pol130_S2H20-.xyz ├── Pol130_S2H21+.xyz ├── Pol130_S2H21-.xyz ├── Pol130_S2H22+.xyz ├── Pol130_S2H22-.xyz ├── Pol130_SCl.xyz ├── Pol130_SCl2+.xyz ├── Pol130_SCl2-.xyz ├── Pol130_SCl2.xyz ├── Pol130_SCl20+.xyz ├── Pol130_SCl20-.xyz ├── Pol130_SCl21+.xyz ├── Pol130_SCl21-.xyz ├── Pol130_SCl22+.xyz ├── Pol130_SCl22-.xyz ├── Pol130_SF.xyz ├── Pol130_SF2+.xyz ├── Pol130_SF2-.xyz ├── Pol130_SF2.xyz ├── Pol130_SF20+.xyz ├── Pol130_SF20-.xyz ├── Pol130_SF21+.xyz ├── Pol130_SF21-.xyz ├── Pol130_SF22+.xyz ├── Pol130_SF22-.xyz ├── Pol130_SH.xyz ├── Pol130_SH2+.xyz ├── Pol130_SH2-.xyz ├── Pol130_SH2.xyz ├── Pol130_SH20+.xyz ├── Pol130_SH20-.xyz ├── Pol130_SH21+.xyz ├── Pol130_SH21-.xyz ├── Pol130_SH22+.xyz ├── Pol130_SH22-.xyz ├── Pol130_SO-trip.xyz ├── Pol130_SO-trip0+.xyz ├── Pol130_SO-trip0-.xyz ├── Pol130_SO-trip2+.xyz ├── Pol130_SO-trip2-.xyz ├── Pol130_SO2.xyz ├── Pol130_SO20+.xyz ├── Pol130_SO20-.xyz ├── Pol130_SO21+.xyz ├── Pol130_SO21-.xyz ├── Pol130_SO22+.xyz ├── Pol130_SO22-.xyz ├── Pol130_SiH3.xyz ├── Pol130_SiH30+.xyz ├── Pol130_SiH30-.xyz ├── Pol130_SiH32+.xyz ├── Pol130_SiH32-.xyz ├── Pol130_SiH3Cl.xyz ├── Pol130_SiH3Cl0+.xyz ├── Pol130_SiH3Cl0-.xyz ├── Pol130_SiH3Cl2+.xyz ├── Pol130_SiH3Cl2-.xyz ├── Pol130_SiH3F.xyz ├── Pol130_SiH3F0+.xyz ├── Pol130_SiH3F0-.xyz ├── Pol130_SiH3F2+.xyz ├── Pol130_SiH3F2-.xyz ├── Pol130_SiH4.xyz ├── Pol130_SiH40+.xyz ├── Pol130_SiH40-.xyz ├── Pol130_SiO.xyz ├── Pol130_SiO0+.xyz ├── Pol130_SiO0-.xyz ├── Pol130_SiO2+.xyz ├── Pol130_SiO2-.xyz ├── RC21_10e.xyz ├── RC21_10p1.xyz ├── RC21_10p2.xyz ├── RC21_1e.xyz ├── RC21_1p1.xyz ├── RC21_1p2.xyz ├── RC21_1p3.xyz ├── RC21_2e.xyz ├── RC21_2p1.xyz ├── RC21_2p2.xyz ├── RC21_2p3.xyz ├── RC21_3e.xyz ├── RC21_3int1.xyz ├── RC21_3int2.xyz ├── RC21_3int3.xyz ├── RC21_3p1.xyz ├── RC21_3p2.xyz ├── RC21_3p3.xyz ├── RC21_4e.xyz ├── RC21_4p.xyz ├── RC21_5e.xyz ├── RC21_5p.xyz ├── RC21_6e.xyz ├── RC21_6int.xyz ├── RC21_6p1.xyz ├── RC21_6p3.xyz ├── RC21_7e.xyz ├── RC21_7p1.xyz ├── RC21_7p2.xyz ├── RC21_7p3.xyz ├── RC21_7p4.xyz ├── RC21_7p5.xyz ├── RC21_7p6.xyz ├── RC21_8e.xyz ├── RC21_8p1.xyz ├── RC21_9e.xyz ├── RC21_9p1.xyz ├── RC21_9p2.xyz ├── RC21_ethylene.xyz ├── RC21_me.xyz ├── RC21_pr.xyz ├── RG10N_Ar.xyz ├── RG10N_ArAr_10p000.xyz ├── RG10N_ArAr_12p000.xyz ├── RG10N_ArAr_14p000.xyz ├── RG10N_ArAr_16p000.xyz ├── RG10N_ArAr_20p000.xyz ├── RG10N_ArAr_2p000.xyz ├── RG10N_ArAr_2p200.xyz ├── RG10N_ArAr_2p400.xyz ├── RG10N_ArAr_2p600.xyz ├── RG10N_ArAr_2p800.xyz ├── RG10N_ArAr_3p000.xyz ├── RG10N_ArAr_3p200.xyz ├── RG10N_ArAr_3p400.xyz ├── RG10N_ArAr_3p500.xyz ├── RG10N_ArAr_3p600.xyz ├── RG10N_ArAr_3p650.xyz ├── RG10N_ArAr_3p700.xyz ├── RG10N_ArAr_3p750.xyz ├── RG10N_ArAr_3p800.xyz ├── RG10N_ArAr_3p850.xyz ├── RG10N_ArAr_3p900.xyz ├── RG10N_ArAr_4p000.xyz ├── RG10N_ArAr_4p200.xyz ├── RG10N_ArAr_4p400.xyz ├── RG10N_ArAr_4p600.xyz ├── RG10N_ArAr_4p800.xyz ├── RG10N_ArAr_5p000.xyz ├── RG10N_ArAr_5p300.xyz ├── RG10N_ArAr_5p600.xyz ├── RG10N_ArAr_6p000.xyz ├── RG10N_ArAr_6p500.xyz ├── RG10N_ArAr_7p000.xyz ├── RG10N_ArAr_8p000.xyz ├── RG10N_ArKr_10p000.xyz ├── RG10N_ArKr_12p000.xyz ├── RG10N_ArKr_15p000.xyz ├── RG10N_ArKr_2p400.xyz ├── RG10N_ArKr_2p600.xyz ├── RG10N_ArKr_2p800.xyz ├── RG10N_ArKr_3p000.xyz ├── RG10N_ArKr_3p200.xyz ├── RG10N_ArKr_3p400.xyz ├── RG10N_ArKr_3p600.xyz ├── RG10N_ArKr_3p800.xyz ├── RG10N_ArKr_4p000.xyz ├── RG10N_ArKr_4p200.xyz ├── RG10N_ArKr_4p400.xyz ├── RG10N_ArKr_4p600.xyz ├── RG10N_ArKr_4p800.xyz ├── RG10N_ArKr_5p000.xyz ├── RG10N_ArKr_5p200.xyz ├── RG10N_ArKr_5p400.xyz ├── RG10N_ArKr_5p600.xyz ├── RG10N_ArKr_5p800.xyz ├── RG10N_ArKr_6p000.xyz ├── RG10N_ArKr_6p200.xyz ├── RG10N_ArKr_6p600.xyz ├── RG10N_ArKr_6p900.xyz ├── RG10N_ArKr_7p200.xyz ├── RG10N_ArKr_7p500.xyz ├── RG10N_ArKr_8p000.xyz ├── RG10N_ArKr_8p500.xyz ├── RG10N_ArKr_9p000.xyz ├── RG10N_He.xyz ├── RG10N_HeAr_10p584.xyz ├── RG10N_HeAr_13p229.xyz ├── RG10N_HeAr_1p852.xyz ├── RG10N_HeAr_2p117.xyz ├── RG10N_HeAr_2p249.xyz ├── RG10N_HeAr_2p381.xyz ├── RG10N_HeAr_2p514.xyz ├── RG10N_HeAr_2p646.xyz ├── RG10N_HeAr_2p778.xyz ├── RG10N_HeAr_2p910.xyz ├── RG10N_HeAr_3p043.xyz ├── RG10N_HeAr_3p175.xyz ├── RG10N_HeAr_3p307.xyz ├── RG10N_HeAr_3p440.xyz ├── RG10N_HeAr_3p572.xyz ├── RG10N_HeAr_3p704.xyz ├── RG10N_HeAr_3p969.xyz ├── RG10N_HeAr_4p233.xyz ├── RG10N_HeAr_4p498.xyz ├── RG10N_HeAr_4p763.xyz ├── RG10N_HeAr_5p027.xyz ├── RG10N_HeAr_5p292.xyz ├── RG10N_HeAr_5p821.xyz ├── RG10N_HeAr_6p350.xyz ├── RG10N_HeAr_6p879.xyz ├── RG10N_HeAr_7p408.xyz ├── RG10N_HeAr_8p467.xyz ├── RG10N_HeAr_9p525.xyz ├── RG10N_HeHe_1p588.xyz ├── RG10N_HeHe_2p117.xyz ├── RG10N_HeHe_2p646.xyz ├── RG10N_HeHe_2p963.xyz ├── RG10N_HeHe_3p175.xyz ├── RG10N_HeHe_3p704.xyz ├── RG10N_HeHe_4p763.xyz ├── RG10N_HeKr_1p300.xyz ├── RG10N_HeKr_1p500.xyz ├── RG10N_HeKr_1p700.xyz ├── RG10N_HeKr_1p900.xyz ├── RG10N_HeKr_2p100.xyz ├── RG10N_HeKr_2p300.xyz ├── RG10N_HeKr_2p500.xyz ├── RG10N_HeKr_2p700.xyz ├── RG10N_HeKr_2p900.xyz ├── RG10N_HeKr_3p000.xyz ├── RG10N_HeKr_3p100.xyz ├── RG10N_HeKr_3p200.xyz ├── RG10N_HeKr_3p300.xyz ├── RG10N_HeKr_3p400.xyz ├── RG10N_HeKr_3p500.xyz ├── RG10N_HeKr_3p600.xyz ├── RG10N_HeKr_3p700.xyz ├── RG10N_HeKr_3p800.xyz ├── RG10N_HeKr_3p900.xyz ├── RG10N_HeKr_4p000.xyz ├── RG10N_HeKr_4p100.xyz ├── RG10N_HeKr_4p200.xyz ├── RG10N_HeKr_4p300.xyz ├── RG10N_HeKr_4p400.xyz ├── RG10N_HeKr_4p500.xyz ├── RG10N_HeKr_4p700.xyz ├── RG10N_HeKr_4p900.xyz ├── RG10N_HeKr_5p200.xyz ├── RG10N_HeKr_5p500.xyz ├── RG10N_HeKr_6p000.xyz ├── RG10N_HeKr_6p500.xyz ├── RG10N_HeKr_7p000.xyz ├── RG10N_HeKr_8p000.xyz ├── RG10N_HeKr_9p000.xyz ├── RG10N_HeNe_10p054.xyz ├── RG10N_HeNe_10p584.xyz ├── RG10N_HeNe_1p984.xyz ├── RG10N_HeNe_2p249.xyz ├── RG10N_HeNe_2p514.xyz ├── RG10N_HeNe_2p646.xyz ├── RG10N_HeNe_2p778.xyz ├── RG10N_HeNe_2p910.xyz ├── RG10N_HeNe_2p990.xyz ├── RG10N_HeNe_3p043.xyz ├── RG10N_HeNe_3p096.xyz ├── RG10N_HeNe_3p175.xyz ├── RG10N_HeNe_3p440.xyz ├── RG10N_HeNe_3p704.xyz ├── RG10N_HeNe_3p969.xyz ├── RG10N_HeNe_4p233.xyz ├── RG10N_HeNe_4p763.xyz ├── RG10N_HeNe_5p292.xyz ├── RG10N_HeNe_6p350.xyz ├── RG10N_HeNe_7p408.xyz ├── RG10N_HeNe_8p467.xyz ├── RG10N_HeNe_8p996.xyz ├── RG10N_HeNe_9p525.xyz ├── RG10N_Kr.xyz ├── RG10N_KrKr_10p000.xyz ├── RG10N_KrKr_12p000.xyz ├── RG10N_KrKr_15p000.xyz ├── RG10N_KrKr_2p200.xyz ├── RG10N_KrKr_2p400.xyz ├── RG10N_KrKr_2p600.xyz ├── RG10N_KrKr_2p800.xyz ├── RG10N_KrKr_3p000.xyz ├── RG10N_KrKr_3p200.xyz ├── RG10N_KrKr_3p300.xyz ├── RG10N_KrKr_3p400.xyz ├── RG10N_KrKr_3p500.xyz ├── RG10N_KrKr_3p600.xyz ├── RG10N_KrKr_3p700.xyz ├── RG10N_KrKr_3p800.xyz ├── RG10N_KrKr_3p900.xyz ├── RG10N_KrKr_4p000.xyz ├── RG10N_KrKr_4p100.xyz ├── RG10N_KrKr_4p200.xyz ├── RG10N_KrKr_4p300.xyz ├── RG10N_KrKr_4p400.xyz ├── RG10N_KrKr_4p500.xyz ├── RG10N_KrKr_4p600.xyz ├── RG10N_KrKr_4p700.xyz ├── RG10N_KrKr_4p800.xyz ├── RG10N_KrKr_5p000.xyz ├── RG10N_KrKr_5p200.xyz ├── RG10N_KrKr_5p400.xyz ├── RG10N_KrKr_5p600.xyz ├── RG10N_KrKr_5p900.xyz ├── RG10N_KrKr_6p200.xyz ├── RG10N_KrKr_6p500.xyz ├── RG10N_KrKr_7p000.xyz ├── RG10N_KrKr_7p500.xyz ├── RG10N_KrKr_8p000.xyz ├── RG10N_KrKr_9p000.xyz ├── RG10N_Ne.xyz ├── RG10N_NeAr_10p054.xyz ├── RG10N_NeAr_10p584.xyz ├── RG10N_NeAr_2p514.xyz ├── RG10N_NeAr_2p778.xyz ├── RG10N_NeAr_3p043.xyz ├── RG10N_NeAr_3p175.xyz ├── RG10N_NeAr_3p307.xyz ├── RG10N_NeAr_3p440.xyz ├── RG10N_NeAr_3p519.xyz ├── RG10N_NeAr_3p572.xyz ├── RG10N_NeAr_3p704.xyz ├── RG10N_NeAr_3p969.xyz ├── RG10N_NeAr_4p233.xyz ├── RG10N_NeAr_4p498.xyz ├── RG10N_NeAr_5p027.xyz ├── RG10N_NeAr_5p556.xyz ├── RG10N_NeAr_6p086.xyz ├── RG10N_NeAr_6p879.xyz ├── RG10N_NeAr_7p938.xyz ├── RG10N_NeAr_8p467.xyz ├── RG10N_NeAr_8p996.xyz ├── RG10N_NeAr_9p525.xyz ├── RG10N_NeKr_10p000.xyz ├── RG10N_NeKr_12p000.xyz ├── RG10N_NeKr_15p000.xyz ├── RG10N_NeKr_2p400.xyz ├── RG10N_NeKr_2p600.xyz ├── RG10N_NeKr_2p800.xyz ├── RG10N_NeKr_3p000.xyz ├── RG10N_NeKr_3p200.xyz ├── RG10N_NeKr_3p400.xyz ├── RG10N_NeKr_3p600.xyz ├── RG10N_NeKr_3p800.xyz ├── RG10N_NeKr_4p000.xyz ├── RG10N_NeKr_4p200.xyz ├── RG10N_NeKr_4p400.xyz ├── RG10N_NeKr_4p600.xyz ├── RG10N_NeKr_4p800.xyz ├── RG10N_NeKr_5p000.xyz ├── RG10N_NeKr_5p200.xyz ├── RG10N_NeKr_5p400.xyz ├── RG10N_NeKr_5p600.xyz ├── RG10N_NeKr_5p800.xyz ├── RG10N_NeKr_6p000.xyz ├── RG10N_NeKr_6p200.xyz ├── RG10N_NeKr_6p600.xyz ├── RG10N_NeKr_6p900.xyz ├── RG10N_NeKr_7p200.xyz ├── RG10N_NeKr_7p500.xyz ├── RG10N_NeKr_8p000.xyz ├── RG10N_NeKr_8p500.xyz ├── RG10N_NeKr_9p000.xyz ├── RG10N_NeNe_1p400.xyz ├── RG10N_NeNe_1p600.xyz ├── RG10N_NeNe_1p800.xyz ├── RG10N_NeNe_2p000.xyz ├── RG10N_NeNe_2p200.xyz ├── RG10N_NeNe_2p400.xyz ├── RG10N_NeNe_2p500.xyz ├── RG10N_NeNe_2p600.xyz ├── RG10N_NeNe_2p700.xyz ├── RG10N_NeNe_2p800.xyz ├── RG10N_NeNe_2p900.xyz ├── RG10N_NeNe_3p000.xyz ├── RG10N_NeNe_3p100.xyz ├── RG10N_NeNe_3p200.xyz ├── RG10N_NeNe_3p300.xyz ├── RG10N_NeNe_3p400.xyz ├── RG10N_NeNe_3p500.xyz ├── RG10N_NeNe_3p600.xyz ├── RG10N_NeNe_3p700.xyz ├── RG10N_NeNe_3p800.xyz ├── RG10N_NeNe_4p000.xyz ├── RG10N_NeNe_4p200.xyz ├── RG10N_NeNe_4p400.xyz ├── RG10N_NeNe_4p600.xyz ├── RG10N_NeNe_4p800.xyz ├── RG10N_NeNe_5p000.xyz ├── RG10N_NeNe_5p200.xyz ├── RG10N_NeNe_5p600.xyz ├── RG10N_NeNe_6p000.xyz ├── RG10N_NeNe_6p500.xyz ├── RG10N_NeNe_7p000.xyz ├── RG10N_NeNe_8p000.xyz ├── RG18_ar.xyz ├── RG18_ar2.xyz ├── RG18_ar3.xyz ├── RG18_ar4.xyz ├── RG18_bz.xyz ├── RG18_bzAr.xyz ├── RG18_bzNe.xyz ├── RG18_c2h2.xyz ├── RG18_c2h2Ar.xyz ├── RG18_c2h2Ne.xyz ├── RG18_c2h6.xyz ├── RG18_c2h6Ar.xyz ├── RG18_c2h6Ne.xyz ├── RG18_hf.xyz ├── RG18_hfAr.xyz ├── RG18_hfKr.xyz ├── RG18_hfNe.xyz ├── RG18_kr.xyz ├── RG18_kr2.xyz ├── RG18_kr3.xyz ├── RG18_ne.xyz ├── RG18_ne2.xyz ├── RG18_ne3.xyz ├── RG18_ne4.xyz ├── RG18_ne6.xyz ├── ROST61_m1.xyz ├── ROST61_m10.xyz ├── ROST61_m100.xyz ├── ROST61_m101.xyz ├── ROST61_m102.xyz ├── ROST61_m103.xyz ├── ROST61_m104.xyz ├── ROST61_m105.xyz ├── ROST61_m106.xyz ├── ROST61_m107.xyz ├── ROST61_m108.xyz ├── ROST61_m109.xyz ├── ROST61_m11.xyz ├── ROST61_m110.xyz ├── ROST61_m111.xyz ├── ROST61_m112.xyz ├── ROST61_m113.xyz ├── ROST61_m114.xyz ├── ROST61_m115.xyz ├── ROST61_m116.xyz ├── ROST61_m117.xyz ├── ROST61_m118.xyz ├── ROST61_m119.xyz ├── ROST61_m12.xyz ├── ROST61_m120.xyz ├── ROST61_m121.xyz ├── ROST61_m122.xyz ├── ROST61_m123.xyz ├── ROST61_m124.xyz ├── ROST61_m125.xyz ├── ROST61_m126.xyz ├── ROST61_m127.xyz ├── ROST61_m128.xyz ├── ROST61_m129.xyz ├── ROST61_m13.xyz ├── ROST61_m130.xyz ├── ROST61_m131.xyz ├── ROST61_m132.xyz ├── ROST61_m133.xyz ├── ROST61_m134.xyz ├── ROST61_m135.xyz ├── ROST61_m136.xyz ├── ROST61_m137.xyz ├── ROST61_m138.xyz ├── ROST61_m139.xyz ├── ROST61_m14.xyz ├── ROST61_m140.xyz ├── ROST61_m141.xyz ├── ROST61_m142.xyz ├── ROST61_m143.xyz ├── ROST61_m144.xyz ├── ROST61_m145.xyz ├── ROST61_m146.xyz ├── ROST61_m147.xyz ├── ROST61_m148.xyz ├── ROST61_m149.xyz ├── ROST61_m15.xyz ├── ROST61_m150.xyz ├── ROST61_m16.xyz ├── ROST61_m17.xyz ├── ROST61_m18.xyz ├── ROST61_m19.xyz ├── ROST61_m2.xyz ├── ROST61_m20.xyz ├── ROST61_m21.xyz ├── ROST61_m22.xyz ├── ROST61_m23.xyz ├── ROST61_m24.xyz ├── ROST61_m25.xyz ├── ROST61_m26.xyz ├── ROST61_m27.xyz ├── ROST61_m28.xyz ├── ROST61_m29.xyz ├── ROST61_m3.xyz ├── ROST61_m30.xyz ├── ROST61_m31.xyz ├── ROST61_m32.xyz ├── ROST61_m33.xyz ├── ROST61_m34.xyz ├── ROST61_m35.xyz ├── ROST61_m36.xyz ├── ROST61_m37.xyz ├── ROST61_m38.xyz ├── ROST61_m39.xyz ├── ROST61_m4.xyz ├── ROST61_m40.xyz ├── ROST61_m41.xyz ├── ROST61_m42.xyz ├── ROST61_m43.xyz ├── ROST61_m44.xyz ├── ROST61_m45.xyz ├── ROST61_m46.xyz ├── ROST61_m47.xyz ├── ROST61_m48.xyz ├── ROST61_m49.xyz ├── ROST61_m5.xyz ├── ROST61_m50.xyz ├── ROST61_m51.xyz ├── ROST61_m52.xyz ├── ROST61_m53.xyz ├── ROST61_m54.xyz ├── ROST61_m55.xyz ├── ROST61_m56.xyz ├── ROST61_m57.xyz ├── ROST61_m58.xyz ├── ROST61_m59.xyz ├── ROST61_m6.xyz ├── ROST61_m60.xyz ├── ROST61_m61.xyz ├── ROST61_m62.xyz ├── ROST61_m63.xyz ├── ROST61_m64.xyz ├── ROST61_m65.xyz ├── ROST61_m66.xyz ├── ROST61_m67.xyz ├── ROST61_m68.xyz ├── ROST61_m69.xyz ├── ROST61_m7.xyz ├── ROST61_m70.xyz ├── ROST61_m71.xyz ├── ROST61_m72.xyz ├── ROST61_m73.xyz ├── ROST61_m74.xyz ├── ROST61_m75.xyz ├── ROST61_m76.xyz ├── ROST61_m77.xyz ├── ROST61_m78.xyz ├── ROST61_m79.xyz ├── ROST61_m8.xyz ├── ROST61_m80.xyz ├── ROST61_m81.xyz ├── ROST61_m82.xyz ├── ROST61_m83.xyz ├── ROST61_m84.xyz ├── ROST61_m85.xyz ├── ROST61_m86.xyz ├── ROST61_m87.xyz ├── ROST61_m88.xyz ├── ROST61_m89.xyz ├── ROST61_m9.xyz ├── ROST61_m90.xyz ├── ROST61_m91.xyz ├── ROST61_m92.xyz ├── ROST61_m93.xyz ├── ROST61_m94.xyz ├── ROST61_m95.xyz ├── ROST61_m96.xyz ├── ROST61_m97.xyz ├── ROST61_m98.xyz ├── ROST61_m99.xyz ├── RSE43_E1.xyz ├── RSE43_E10.xyz ├── RSE43_E11.xyz ├── RSE43_E12.xyz ├── RSE43_E13.xyz ├── RSE43_E15.xyz ├── RSE43_E16.xyz ├── RSE43_E17.xyz ├── RSE43_E18.xyz ├── RSE43_E19.xyz ├── RSE43_E2.xyz ├── RSE43_E20.xyz ├── RSE43_E21.xyz ├── RSE43_E22.xyz ├── RSE43_E23.xyz ├── RSE43_E24.xyz ├── RSE43_E25.xyz ├── RSE43_E26.xyz ├── RSE43_E27.xyz ├── RSE43_E28.xyz ├── RSE43_E29.xyz ├── RSE43_E3.xyz ├── RSE43_E30.xyz ├── RSE43_E31.xyz ├── RSE43_E32.xyz ├── RSE43_E33.xyz ├── RSE43_E34.xyz ├── RSE43_E35.xyz ├── RSE43_E36.xyz ├── RSE43_E37.xyz ├── RSE43_E38.xyz ├── RSE43_E39.xyz ├── RSE43_E4.xyz ├── RSE43_E40.xyz ├── RSE43_E41.xyz ├── RSE43_E42.xyz ├── RSE43_E43.xyz ├── RSE43_E44.xyz ├── RSE43_E45.xyz ├── RSE43_E5.xyz ├── RSE43_E6.xyz ├── RSE43_E7.xyz ├── RSE43_E8.xyz ├── RSE43_E9.xyz ├── RSE43_P1.xyz ├── RSE43_P10.xyz ├── RSE43_P11.xyz ├── RSE43_P12.xyz ├── RSE43_P13.xyz ├── RSE43_P15.xyz ├── RSE43_P16.xyz ├── RSE43_P17.xyz ├── RSE43_P18.xyz ├── RSE43_P19.xyz ├── RSE43_P2.xyz ├── RSE43_P20.xyz ├── RSE43_P21.xyz ├── RSE43_P22.xyz ├── RSE43_P23.xyz ├── RSE43_P24.xyz ├── RSE43_P25.xyz ├── RSE43_P26.xyz ├── RSE43_P27.xyz ├── RSE43_P28.xyz ├── RSE43_P29.xyz ├── RSE43_P3.xyz ├── RSE43_P30.xyz ├── RSE43_P31.xyz ├── RSE43_P32.xyz ├── RSE43_P33.xyz ├── RSE43_P34.xyz ├── RSE43_P35.xyz ├── RSE43_P36.xyz ├── RSE43_P37.xyz ├── RSE43_P38.xyz ├── RSE43_P39.xyz ├── RSE43_P4.xyz ├── RSE43_P40.xyz ├── RSE43_P41.xyz ├── RSE43_P42.xyz ├── RSE43_P43.xyz ├── RSE43_P44.xyz ├── RSE43_P45.xyz ├── RSE43_P5.xyz ├── RSE43_P6.xyz ├── RSE43_P7.xyz ├── RSE43_P8.xyz ├── RSE43_P9.xyz ├── S22_01.xyz ├── S22_01a.xyz ├── S22_02.xyz ├── S22_02a.xyz ├── S22_02b.xyz ├── S22_03.xyz ├── S22_03a.xyz ├── S22_04.xyz ├── S22_04a.xyz ├── S22_05.xyz ├── S22_05a.xyz ├── S22_06.xyz ├── S22_06a.xyz ├── S22_06b.xyz ├── S22_07.xyz ├── S22_07a.xyz ├── S22_07b.xyz ├── S22_08.xyz ├── S22_08a.xyz ├── S22_09.xyz ├── S22_09a.xyz ├── S22_10.xyz ├── S22_10a.xyz ├── S22_10b.xyz ├── S22_11.xyz ├── S22_11a.xyz ├── S22_12.xyz ├── S22_12a.xyz ├── S22_13.xyz ├── S22_13a.xyz ├── S22_14.xyz ├── S22_14a.xyz ├── S22_14b.xyz ├── S22_15.xyz ├── S22_15a.xyz ├── S22_15b.xyz ├── S22_16.xyz ├── S22_16a.xyz ├── S22_16b.xyz ├── S22_17.xyz ├── S22_17a.xyz ├── S22_17b.xyz ├── S22_18.xyz ├── S22_18a.xyz ├── S22_18b.xyz ├── S22_19.xyz ├── S22_19a.xyz ├── S22_19b.xyz ├── S22_20.xyz ├── S22_20a.xyz ├── S22_20b.xyz ├── S22_21.xyz ├── S22_21a.xyz ├── S22_21b.xyz ├── S22_22.xyz ├── S22_22a.xyz ├── S22_22b.xyz ├── SCONF_C1.xyz ├── SCONF_C10.xyz ├── SCONF_C11.xyz ├── SCONF_C12.xyz ├── SCONF_C13.xyz ├── SCONF_C14.xyz ├── SCONF_C15.xyz ├── SCONF_C2.xyz ├── SCONF_C3.xyz ├── SCONF_C4.xyz ├── SCONF_C5.xyz ├── SCONF_C6.xyz ├── SCONF_C7.xyz ├── SCONF_C8.xyz ├── SCONF_C9.xyz ├── SCONF_G1.xyz ├── SCONF_G2.xyz ├── SCONF_G3.xyz ├── SCONF_G4.xyz ├── SIE4x4_h.xyz ├── SIE4x4_h2+_1_0.xyz ├── SIE4x4_h2+_1_25.xyz ├── SIE4x4_h2+_1_5.xyz ├── SIE4x4_h2+_1_75.xyz ├── SIE4x4_h2o+.xyz ├── SIE4x4_h2o.xyz ├── SIE4x4_h2o2+_1_0.xyz ├── SIE4x4_h2o2+_1_25.xyz ├── SIE4x4_h2o2+_1_5.xyz ├── SIE4x4_h2o2+_1_75.xyz ├── SIE4x4_he+.xyz ├── SIE4x4_he.xyz ├── SIE4x4_he2+_1_0.xyz ├── SIE4x4_he2+_1_25.xyz ├── SIE4x4_he2+_1_5.xyz ├── SIE4x4_he2+_1_75.xyz ├── SIE4x4_nh3+.xyz ├── SIE4x4_nh3.xyz ├── SIE4x4_nh32+_1_0.xyz ├── SIE4x4_nh32+_1_25.xyz ├── SIE4x4_nh32+_1_5.xyz ├── SIE4x4_nh32+_1_75.xyz ├── T144_0056.xyz ├── T144_00560+.xyz ├── T144_00560-.xyz ├── T144_00561+.xyz ├── T144_00561-.xyz ├── T144_00562+.xyz ├── T144_00562-.xyz ├── T144_0093.xyz ├── T144_00930+.xyz ├── T144_00930-.xyz ├── T144_00931+.xyz ├── T144_00931-.xyz ├── T144_00932+.xyz ├── T144_00932-.xyz ├── T144_0097.xyz ├── T144_00970+.xyz ├── T144_00970-.xyz ├── T144_00971+.xyz ├── T144_00971-.xyz ├── T144_00972+.xyz ├── T144_00972-.xyz ├── T144_0103.xyz ├── T144_01030+.xyz ├── T144_01030-.xyz ├── T144_01031+.xyz ├── T144_01031-.xyz ├── T144_01032+.xyz ├── T144_01032-.xyz ├── T144_0112.xyz ├── T144_01120+.xyz ├── T144_01120-.xyz ├── T144_01121+.xyz ├── T144_01121-.xyz ├── T144_01122+.xyz ├── T144_01122-.xyz ├── T144_0117.xyz ├── T144_01170+.xyz ├── T144_01170-.xyz ├── T144_01171+.xyz ├── T144_01171-.xyz ├── T144_01172+.xyz ├── T144_01172-.xyz ├── T144_0119.xyz ├── T144_01190+.xyz ├── T144_01190-.xyz ├── T144_01191+.xyz ├── T144_01191-.xyz ├── T144_01192+.xyz ├── T144_01192-.xyz ├── T144_0129.xyz ├── T144_01290+.xyz ├── T144_01290-.xyz ├── T144_01291+.xyz ├── T144_01291-.xyz ├── T144_01292+.xyz ├── T144_01292-.xyz ├── T144_0142.xyz ├── T144_01420+.xyz ├── T144_01420-.xyz ├── T144_01421+.xyz ├── T144_01421-.xyz ├── T144_01422+.xyz ├── T144_01422-.xyz ├── T144_0158.xyz ├── T144_01580+.xyz ├── T144_01580-.xyz ├── T144_01582+.xyz ├── T144_01582-.xyz ├── T144_0159.xyz ├── T144_01590+.xyz ├── T144_01590-.xyz ├── T144_01591+.xyz ├── T144_01591-.xyz ├── T144_01592+.xyz ├── T144_01592-.xyz ├── T144_0205.xyz ├── T144_02050+.xyz ├── T144_02050-.xyz ├── T144_02052+.xyz ├── T144_02052-.xyz ├── T144_0213.xyz ├── T144_02130+.xyz ├── T144_02130-.xyz ├── T144_02131+.xyz ├── T144_02131-.xyz ├── T144_02132+.xyz ├── T144_02132-.xyz ├── T144_0223.xyz ├── T144_02230+.xyz ├── T144_02230-.xyz ├── T144_02231+.xyz ├── T144_02231-.xyz ├── T144_02232+.xyz ├── T144_02232-.xyz ├── T144_0245.xyz ├── T144_02450+.xyz ├── T144_02450-.xyz ├── T144_02451+.xyz ├── T144_02451-.xyz ├── T144_02452+.xyz ├── T144_02452-.xyz ├── T144_0256.xyz ├── T144_02560+.xyz ├── T144_02560-.xyz ├── T144_02561+.xyz ├── T144_02561-.xyz ├── T144_02562+.xyz ├── T144_02562-.xyz ├── T144_0257.xyz ├── T144_02570+.xyz ├── T144_02570-.xyz ├── T144_02571+.xyz ├── T144_02571-.xyz ├── T144_02572+.xyz ├── T144_02572-.xyz ├── T144_0267.xyz ├── T144_02670+.xyz ├── T144_02670-.xyz ├── T144_02671+.xyz ├── T144_02671-.xyz ├── T144_02672+.xyz ├── T144_02672-.xyz ├── T144_0276.xyz ├── T144_02760+.xyz ├── T144_02760-.xyz ├── T144_02761+.xyz ├── T144_02761-.xyz ├── T144_02762+.xyz ├── T144_02762-.xyz ├── T144_0281.xyz ├── T144_02810+.xyz ├── T144_02810-.xyz ├── T144_02811+.xyz ├── T144_02811-.xyz ├── T144_02812+.xyz ├── T144_02812-.xyz ├── T144_0282.xyz ├── T144_02820+.xyz ├── T144_02820-.xyz ├── T144_02821+.xyz ├── T144_02821-.xyz ├── T144_02822+.xyz ├── T144_02822-.xyz ├── T144_0287.xyz ├── T144_02870+.xyz ├── T144_02870-.xyz ├── T144_02871+.xyz ├── T144_02871-.xyz ├── T144_02872+.xyz ├── T144_02872-.xyz ├── T144_0306.xyz ├── T144_03060+.xyz ├── T144_03060-.xyz ├── T144_03061+.xyz ├── T144_03061-.xyz ├── T144_03062+.xyz ├── T144_03062-.xyz ├── T144_0318.xyz ├── T144_03180+.xyz ├── T144_03180-.xyz ├── T144_03181+.xyz ├── T144_03181-.xyz ├── T144_03182+.xyz ├── T144_03182-.xyz ├── T144_0332.xyz ├── T144_03320+.xyz ├── T144_03320-.xyz ├── T144_03321+.xyz ├── T144_03321-.xyz ├── T144_03322+.xyz ├── T144_03322-.xyz ├── T144_0336.xyz ├── T144_03360+.xyz ├── T144_03360-.xyz ├── T144_03361+.xyz ├── T144_03361-.xyz ├── T144_03362+.xyz ├── T144_03362-.xyz ├── T144_0342.xyz ├── T144_03420+.xyz ├── T144_03420-.xyz ├── T144_03421+.xyz ├── T144_03421-.xyz ├── T144_03422+.xyz ├── T144_03422-.xyz ├── T144_0346.xyz ├── T144_03460+.xyz ├── T144_03460-.xyz ├── T144_03461+.xyz ├── T144_03461-.xyz ├── T144_03462+.xyz ├── T144_03462-.xyz ├── T144_0351.xyz ├── T144_03510+.xyz ├── T144_03510-.xyz ├── T144_03511+.xyz ├── T144_03511-.xyz ├── T144_03512+.xyz ├── T144_03512-.xyz ├── T144_0353.xyz ├── T144_03530+.xyz ├── T144_03530-.xyz ├── T144_03532+.xyz ├── T144_03532-.xyz ├── T144_0361.xyz ├── T144_03610+.xyz ├── T144_03610-.xyz ├── T144_03611+.xyz ├── T144_03611-.xyz ├── T144_03612+.xyz ├── T144_03612-.xyz ├── T144_0381.xyz ├── T144_03810+.xyz ├── T144_03810-.xyz ├── T144_03812+.xyz ├── T144_03812-.xyz ├── T144_0390.xyz ├── T144_03900+.xyz ├── T144_03900-.xyz ├── T144_03901+.xyz ├── T144_03901-.xyz ├── T144_03902+.xyz ├── T144_03902-.xyz ├── T144_0393.xyz ├── T144_03930+.xyz ├── T144_03930-.xyz ├── T144_03931+.xyz ├── T144_03931-.xyz ├── T144_03932+.xyz ├── T144_03932-.xyz ├── T144_0397.xyz ├── T144_03970+.xyz ├── T144_03970-.xyz ├── T144_03971+.xyz ├── T144_03971-.xyz ├── T144_03972+.xyz ├── T144_03972-.xyz ├── T144_0399.xyz ├── T144_03990+.xyz ├── T144_03990-.xyz ├── T144_03991+.xyz ├── T144_03991-.xyz ├── T144_03992+.xyz ├── T144_03992-.xyz ├── T144_0425.xyz ├── T144_04250+.xyz ├── T144_04250-.xyz ├── T144_04251+.xyz ├── T144_04251-.xyz ├── T144_04252+.xyz ├── T144_04252-.xyz ├── T144_0438.xyz ├── T144_04380+.xyz ├── T144_04380-.xyz ├── T144_04381+.xyz ├── T144_04381-.xyz ├── T144_04382+.xyz ├── T144_04382-.xyz ├── T144_0445.xyz ├── T144_04450+.xyz ├── T144_04450-.xyz ├── T144_04451+.xyz ├── T144_04451-.xyz ├── T144_04452+.xyz ├── T144_04452-.xyz ├── T144_0460.xyz ├── T144_04600+.xyz ├── T144_04600-.xyz ├── T144_04601+.xyz ├── T144_04601-.xyz ├── T144_04602+.xyz ├── T144_04602-.xyz ├── T144_0470.xyz ├── T144_04700+.xyz ├── T144_04700-.xyz ├── T144_04701+.xyz ├── T144_04701-.xyz ├── T144_04702+.xyz ├── T144_04702-.xyz ├── T144_0489.xyz ├── T144_04890+.xyz ├── T144_04890-.xyz ├── T144_04891+.xyz ├── T144_04891-.xyz ├── T144_04892+.xyz ├── T144_04892-.xyz ├── T144_0529.xyz ├── T144_05290+.xyz ├── T144_05290-.xyz ├── T144_05291+.xyz ├── T144_05291-.xyz ├── T144_05292+.xyz ├── T144_05292-.xyz ├── T144_0533.xyz ├── T144_05330+.xyz ├── T144_05330-.xyz ├── T144_05331+.xyz ├── T144_05331-.xyz ├── T144_05332+.xyz ├── T144_05332-.xyz ├── T144_0556.xyz ├── T144_05560+.xyz ├── T144_05560-.xyz ├── T144_05561+.xyz ├── T144_05561-.xyz ├── T144_05562+.xyz ├── T144_05562-.xyz ├── T144_0580.xyz ├── T144_05800+.xyz ├── T144_05800-.xyz ├── T144_05801+.xyz ├── T144_05801-.xyz ├── T144_05802+.xyz ├── T144_05802-.xyz ├── T144_0599.xyz ├── T144_05990+.xyz ├── T144_05990-.xyz ├── T144_05991+.xyz ├── T144_05991-.xyz ├── T144_05992+.xyz ├── T144_05992-.xyz ├── T144_0617.xyz ├── T144_06170+.xyz ├── T144_06170-.xyz ├── T144_06171+.xyz ├── T144_06171-.xyz ├── T144_06172+.xyz ├── T144_06172-.xyz ├── T144_0654.xyz ├── T144_06540+.xyz ├── T144_06540-.xyz ├── T144_06541+.xyz ├── T144_06541-.xyz ├── T144_06542+.xyz ├── T144_06542-.xyz ├── T144_0655.xyz ├── T144_06550+.xyz ├── T144_06550-.xyz ├── T144_06551+.xyz ├── T144_06551-.xyz ├── T144_06552+.xyz ├── T144_06552-.xyz ├── T144_0670.xyz ├── T144_06700+.xyz ├── T144_06700-.xyz ├── T144_06702+.xyz ├── T144_06702-.xyz ├── T144_0710.xyz ├── T144_07100+.xyz ├── T144_07100-.xyz ├── T144_07101+.xyz ├── T144_07101-.xyz ├── T144_07102+.xyz ├── T144_07102-.xyz ├── T144_0722.xyz ├── T144_07220+.xyz ├── T144_07220-.xyz ├── T144_07221+.xyz ├── T144_07221-.xyz ├── T144_07222+.xyz ├── T144_07222-.xyz ├── T144_0753.xyz ├── T144_07530+.xyz ├── T144_07530-.xyz ├── T144_07531+.xyz ├── T144_07531-.xyz ├── T144_07532+.xyz ├── T144_07532-.xyz ├── T144_0757.xyz ├── T144_07570+.xyz ├── T144_07570-.xyz ├── T144_07571+.xyz ├── T144_07571-.xyz ├── T144_07572+.xyz ├── T144_07572-.xyz ├── T144_0761.xyz ├── T144_07610+.xyz ├── T144_07610-.xyz ├── T144_07611+.xyz ├── T144_07611-.xyz ├── T144_07612+.xyz ├── T144_07612-.xyz ├── T144_0762.xyz ├── T144_07620+.xyz ├── T144_07620-.xyz ├── T144_07621+.xyz ├── T144_07621-.xyz ├── T144_07622+.xyz ├── T144_07622-.xyz ├── T144_0765.xyz ├── T144_07650+.xyz ├── T144_07650-.xyz ├── T144_07651+.xyz ├── T144_07651-.xyz ├── T144_07652+.xyz ├── T144_07652-.xyz ├── T144_0767.xyz ├── T144_07670+.xyz ├── T144_07670-.xyz ├── T144_07671+.xyz ├── T144_07671-.xyz ├── T144_07672+.xyz ├── T144_07672-.xyz ├── T144_0768.xyz ├── T144_07680+.xyz ├── T144_07680-.xyz ├── T144_07681+.xyz ├── T144_07681-.xyz ├── T144_07682+.xyz ├── T144_07682-.xyz ├── T144_0769.xyz ├── T144_07690+.xyz ├── T144_07690-.xyz ├── T144_07691+.xyz ├── T144_07691-.xyz ├── T144_07692+.xyz ├── T144_07692-.xyz ├── T144_0818.xyz ├── T144_08180+.xyz ├── T144_08180-.xyz ├── T144_08181+.xyz ├── T144_08181-.xyz ├── T144_08182+.xyz ├── T144_08182-.xyz ├── T144_0820.xyz ├── T144_08200+.xyz ├── T144_08200-.xyz ├── T144_08201+.xyz ├── T144_08201-.xyz ├── T144_08202+.xyz ├── T144_08202-.xyz ├── T144_0833.xyz ├── T144_08330+.xyz ├── T144_08330-.xyz ├── T144_08331+.xyz ├── T144_08331-.xyz ├── T144_08332+.xyz ├── T144_08332-.xyz ├── T144_0841.xyz ├── T144_08410+.xyz ├── T144_08410-.xyz ├── T144_08411+.xyz ├── T144_08411-.xyz ├── T144_08412+.xyz ├── T144_08412-.xyz ├── T144_0843.xyz ├── T144_08430+.xyz ├── T144_08430-.xyz ├── T144_08431+.xyz ├── T144_08431-.xyz ├── T144_08432+.xyz ├── T144_08432-.xyz ├── T144_0846.xyz ├── T144_08460+.xyz ├── T144_08460-.xyz ├── T144_08461+.xyz ├── T144_08461-.xyz ├── T144_08462+.xyz ├── T144_08462-.xyz ├── T144_0847.xyz ├── T144_08470+.xyz ├── T144_08470-.xyz ├── T144_08471+.xyz ├── T144_08471-.xyz ├── T144_08472+.xyz ├── T144_08472-.xyz ├── T144_0852.xyz ├── T144_08520+.xyz ├── T144_08520-.xyz ├── T144_08521+.xyz ├── T144_08521-.xyz ├── T144_08522+.xyz ├── T144_08522-.xyz ├── T144_0884.xyz ├── T144_08840+.xyz ├── T144_08840-.xyz ├── T144_08841+.xyz ├── T144_08841-.xyz ├── T144_08842+.xyz ├── T144_08842-.xyz ├── T144_0886.xyz ├── T144_08860+.xyz ├── T144_08860-.xyz ├── T144_08861+.xyz ├── T144_08861-.xyz ├── T144_08862+.xyz ├── T144_08862-.xyz ├── T144_0890.xyz ├── T144_08900+.xyz ├── T144_08900-.xyz ├── T144_08901+.xyz ├── T144_08901-.xyz ├── T144_08902+.xyz ├── T144_08902-.xyz ├── T144_0909.xyz ├── T144_09090+.xyz ├── T144_09090-.xyz ├── T144_09091+.xyz ├── T144_09091-.xyz ├── T144_09092+.xyz ├── T144_09092-.xyz ├── T144_0936.xyz ├── T144_09360+.xyz ├── T144_09360-.xyz ├── T144_09361+.xyz ├── T144_09361-.xyz ├── T144_09362+.xyz ├── T144_09362-.xyz ├── T144_0969.xyz ├── T144_09690+.xyz ├── T144_09690-.xyz ├── T144_09691+.xyz ├── T144_09691-.xyz ├── T144_09692+.xyz ├── T144_09692-.xyz ├── T144_0974.xyz ├── T144_09740+.xyz ├── T144_09740-.xyz ├── T144_09741+.xyz ├── T144_09741-.xyz ├── T144_09742+.xyz ├── T144_09742-.xyz ├── T144_0976.xyz ├── T144_09760+.xyz ├── T144_09760-.xyz ├── T144_09761+.xyz ├── T144_09761-.xyz ├── T144_09762+.xyz ├── T144_09762-.xyz ├── T144_0987.xyz ├── T144_09870+.xyz ├── T144_09870-.xyz ├── T144_09871+.xyz ├── T144_09871-.xyz ├── T144_09872+.xyz ├── T144_09872-.xyz ├── T144_0989.xyz ├── T144_09890+.xyz ├── T144_09890-.xyz ├── T144_09892+.xyz ├── T144_09892-.xyz ├── T144_0998.xyz ├── T144_09980+.xyz ├── T144_09980-.xyz ├── T144_09981+.xyz ├── T144_09981-.xyz ├── T144_09982+.xyz ├── T144_09982-.xyz ├── T144_1003.xyz ├── T144_10030+.xyz ├── T144_10030-.xyz ├── T144_10031+.xyz ├── T144_10031-.xyz ├── T144_10032+.xyz ├── T144_10032-.xyz ├── T144_1014.xyz ├── T144_10140+.xyz ├── T144_10140-.xyz ├── T144_10141+.xyz ├── T144_10141-.xyz ├── T144_10142+.xyz ├── T144_10142-.xyz ├── T144_1019.xyz ├── T144_10190+.xyz ├── T144_10190-.xyz ├── T144_10191+.xyz ├── T144_10191-.xyz ├── T144_10192+.xyz ├── T144_10192-.xyz ├── T144_1032.xyz ├── T144_10320+.xyz ├── T144_10320-.xyz ├── T144_10321+.xyz ├── T144_10321-.xyz ├── T144_10322+.xyz ├── T144_10322-.xyz ├── T144_1046.xyz ├── T144_10460+.xyz ├── T144_10460-.xyz ├── T144_10462+.xyz ├── T144_10462-.xyz ├── T144_1047.xyz ├── T144_10470+.xyz ├── T144_10470-.xyz ├── T144_10471+.xyz ├── T144_10471-.xyz ├── T144_10472+.xyz ├── T144_10472-.xyz ├── T144_1048.xyz ├── T144_10480+.xyz ├── T144_10480-.xyz ├── T144_10481+.xyz ├── T144_10481-.xyz ├── T144_10482+.xyz ├── T144_10482-.xyz ├── T144_1049.xyz ├── T144_10490+.xyz ├── T144_10490-.xyz ├── T144_10491+.xyz ├── T144_10491-.xyz ├── T144_10492+.xyz ├── T144_10492-.xyz ├── T144_1074.xyz ├── T144_10740+.xyz ├── T144_10740-.xyz ├── T144_10741+.xyz ├── T144_10741-.xyz ├── T144_10742+.xyz ├── T144_10742-.xyz ├── T144_1085.xyz ├── T144_10850+.xyz ├── T144_10850-.xyz ├── T144_10851+.xyz ├── T144_10851-.xyz ├── T144_10852+.xyz ├── T144_10852-.xyz ├── T144_1108.xyz ├── T144_11080+.xyz ├── T144_11080-.xyz ├── T144_11081+.xyz ├── T144_11081-.xyz ├── T144_11082+.xyz ├── T144_11082-.xyz ├── T144_1109.xyz ├── T144_11090+.xyz ├── T144_11090-.xyz ├── T144_11091+.xyz ├── T144_11091-.xyz ├── T144_1115.xyz ├── T144_11150+.xyz ├── T144_11150-.xyz ├── T144_11151+.xyz ├── T144_11151-.xyz ├── T144_11152+.xyz ├── T144_11152-.xyz ├── T144_1117.xyz ├── T144_11170+.xyz ├── T144_11170-.xyz ├── T144_11171+.xyz ├── T144_11171-.xyz ├── T144_11172+.xyz ├── T144_11172-.xyz ├── T144_1119.xyz ├── T144_11190+.xyz ├── T144_11190-.xyz ├── T144_11191+.xyz ├── T144_11191-.xyz ├── T144_11192+.xyz ├── T144_11192-.xyz ├── T144_1135.xyz ├── T144_11350+.xyz ├── T144_11350-.xyz ├── T144_11351+.xyz ├── T144_11351-.xyz ├── T144_11352+.xyz ├── T144_11352-.xyz ├── T144_1149.xyz ├── T144_11490+.xyz ├── T144_11490-.xyz ├── T144_11491+.xyz ├── T144_11491-.xyz ├── T144_11492+.xyz ├── T144_11492-.xyz ├── T144_1193.xyz ├── T144_11930+.xyz ├── T144_11930-.xyz ├── T144_11931+.xyz ├── T144_11931-.xyz ├── T144_11932+.xyz ├── T144_11932-.xyz ├── T144_1194.xyz ├── T144_11940+.xyz ├── T144_11940-.xyz ├── T144_11941+.xyz ├── T144_11941-.xyz ├── T144_11942+.xyz ├── T144_11942-.xyz ├── T144_1197.xyz ├── T144_11970+.xyz ├── T144_11970-.xyz ├── T144_11971+.xyz ├── T144_11971-.xyz ├── T144_11972+.xyz ├── T144_11972-.xyz ├── T144_1207.xyz ├── T144_12070+.xyz ├── T144_12070-.xyz ├── T144_12072+.xyz ├── T144_12072-.xyz ├── T144_1209.xyz ├── T144_12090+.xyz ├── T144_12090-.xyz ├── T144_12091+.xyz ├── T144_12091-.xyz ├── T144_12092+.xyz ├── T144_12092-.xyz ├── T144_1241.xyz ├── T144_12410+.xyz ├── T144_12410-.xyz ├── T144_12411+.xyz ├── T144_12411-.xyz ├── T144_12412+.xyz ├── T144_12412-.xyz ├── T144_1250.xyz ├── T144_12500+.xyz ├── T144_12500-.xyz ├── T144_12501+.xyz ├── T144_12501-.xyz ├── T144_12502+.xyz ├── T144_12502-.xyz ├── T144_1251.xyz ├── T144_12510+.xyz ├── T144_12510-.xyz ├── T144_12511+.xyz ├── T144_12511-.xyz ├── T144_12512+.xyz ├── T144_12512-.xyz ├── T144_1256.xyz ├── T144_12560+.xyz ├── T144_12560-.xyz ├── T144_12561+.xyz ├── T144_12561-.xyz ├── T144_12562+.xyz ├── T144_12562-.xyz ├── T144_1314.xyz ├── T144_13140+.xyz ├── T144_13140-.xyz ├── T144_13141+.xyz ├── T144_13141-.xyz ├── T144_13142+.xyz ├── T144_13142-.xyz ├── T144_1315.xyz ├── T144_13150+.xyz ├── T144_13150-.xyz ├── T144_13151+.xyz ├── T144_13151-.xyz ├── T144_13152+.xyz ├── T144_13152-.xyz ├── T144_1332.xyz ├── T144_13320+.xyz ├── T144_13320-.xyz ├── T144_13321+.xyz ├── T144_13321-.xyz ├── T144_13322+.xyz ├── T144_13322-.xyz ├── T144_1344.xyz ├── T144_13440+.xyz ├── T144_13440-.xyz ├── T144_13441+.xyz ├── T144_13441-.xyz ├── T144_13442+.xyz ├── T144_13442-.xyz ├── T144_1361.xyz ├── T144_13610+.xyz ├── T144_13610-.xyz ├── T144_13611+.xyz ├── T144_13611-.xyz ├── T144_13612+.xyz ├── T144_13612-.xyz ├── T144_1367.xyz ├── T144_13670+.xyz ├── T144_13670-.xyz ├── T144_13671+.xyz ├── T144_13671-.xyz ├── T144_13672+.xyz ├── T144_13672-.xyz ├── T144_1378.xyz ├── T144_13780+.xyz ├── T144_13780-.xyz ├── T144_13781+.xyz ├── T144_13781-.xyz ├── T144_13782+.xyz ├── T144_13782-.xyz ├── T144_1382.xyz ├── T144_13820+.xyz ├── T144_13820-.xyz ├── T144_13821+.xyz ├── T144_13821-.xyz ├── T144_13822+.xyz ├── T144_13822-.xyz ├── T144_1391.xyz ├── T144_13910+.xyz ├── T144_13910-.xyz ├── T144_13911+.xyz ├── T144_13911-.xyz ├── T144_13912+.xyz ├── T144_13912-.xyz ├── T144_1395.xyz ├── T144_13950+.xyz ├── T144_13950-.xyz ├── T144_13952+.xyz ├── T144_13952-.xyz ├── T144_1396.xyz ├── T144_13960+.xyz ├── T144_13960-.xyz ├── T144_13961+.xyz ├── T144_13961-.xyz ├── T144_13962+.xyz ├── T144_13962-.xyz ├── T144_1406.xyz ├── T144_14060+.xyz ├── T144_14060-.xyz ├── T144_14061+.xyz ├── T144_14061-.xyz ├── T144_14062+.xyz ├── T144_14062-.xyz ├── T144_1408.xyz ├── T144_14080+.xyz ├── T144_14080-.xyz ├── T144_14081+.xyz ├── T144_14081-.xyz ├── T144_14082+.xyz ├── T144_14082-.xyz ├── T144_1409.xyz ├── T144_14090+.xyz ├── T144_14090-.xyz ├── T144_14091+.xyz ├── T144_14091-.xyz ├── T144_14092+.xyz ├── T144_14092-.xyz ├── T144_1428.xyz ├── T144_14280+.xyz ├── T144_14280-.xyz ├── T144_14281+.xyz ├── T144_14281-.xyz ├── T144_14282+.xyz ├── T144_14282-.xyz ├── T144_1429.xyz ├── T144_14290+.xyz ├── T144_14290-.xyz ├── T144_14291+.xyz ├── T144_14291-.xyz ├── T144_14292+.xyz ├── T144_14292-.xyz ├── T144_1438.xyz ├── T144_14380+.xyz ├── T144_14380-.xyz ├── T144_14381+.xyz ├── T144_14381-.xyz ├── T144_14382+.xyz ├── T144_14382-.xyz ├── T144_1444.xyz ├── T144_14440+.xyz ├── T144_14440-.xyz ├── T144_14441+.xyz ├── T144_14441-.xyz ├── T144_14442+.xyz ├── T144_14442-.xyz ├── T144_1455.xyz ├── T144_14550+.xyz ├── T144_14550-.xyz ├── T144_14551+.xyz ├── T144_14551-.xyz ├── T144_14552+.xyz ├── T144_14552-.xyz ├── T144_1457.xyz ├── T144_14570+.xyz ├── T144_14570-.xyz ├── T144_14571+.xyz ├── T144_14571-.xyz ├── T144_14572+.xyz ├── T144_14572-.xyz ├── T144_1475.xyz ├── T144_14750+.xyz ├── T144_14750-.xyz ├── T144_14751+.xyz ├── T144_14751-.xyz ├── T144_14752+.xyz ├── T144_14752-.xyz ├── T144_1479.xyz ├── T144_14790+.xyz ├── T144_14790-.xyz ├── T144_14791+.xyz ├── T144_14791-.xyz ├── T144_14792+.xyz ├── T144_14792-.xyz ├── T144_1502.xyz ├── T144_15020+.xyz ├── T144_15020-.xyz ├── T144_15021+.xyz ├── T144_15021-.xyz ├── T144_15022+.xyz ├── T144_15022-.xyz ├── T144_1563.xyz ├── T144_15630+.xyz ├── T144_15630-.xyz ├── T144_15631+.xyz ├── T144_15631-.xyz ├── T144_15632+.xyz ├── T144_15632-.xyz ├── T144_1564.xyz ├── T144_15640+.xyz ├── T144_15640-.xyz ├── T144_15641+.xyz ├── T144_15641-.xyz ├── T144_15642+.xyz ├── T144_15642-.xyz ├── T144_1588.xyz ├── T144_15880+.xyz ├── T144_15880-.xyz ├── T144_15881+.xyz ├── T144_15881-.xyz ├── T144_15882+.xyz ├── T144_15882-.xyz ├── T144_1603.xyz ├── T144_16030+.xyz ├── T144_16030-.xyz ├── T144_16031+.xyz ├── T144_16031-.xyz ├── T144_16032+.xyz ├── T144_16032-.xyz ├── T144_1604.xyz ├── T144_16040+.xyz ├── T144_16040-.xyz ├── T144_16041+.xyz ├── T144_16041-.xyz ├── T144_16042+.xyz ├── T144_16042-.xyz ├── T144_1607.xyz ├── T144_16070+.xyz ├── T144_16070-.xyz ├── T144_16071+.xyz ├── T144_16071-.xyz ├── T144_16072+.xyz ├── T144_16072-.xyz ├── T144_1610.xyz ├── T144_16100+.xyz ├── T144_16100-.xyz ├── T144_16101+.xyz ├── T144_16101-.xyz ├── T144_16102+.xyz ├── T144_16102-.xyz ├── T144_1617.xyz ├── T144_16170+.xyz ├── T144_16170-.xyz ├── T144_16171+.xyz ├── T144_16171-.xyz ├── T144_16172+.xyz ├── T144_16172-.xyz ├── T144_1619.xyz ├── T144_16190+.xyz ├── T144_16190-.xyz ├── T144_16191+.xyz ├── T144_16191-.xyz ├── T144_16192+.xyz ├── T144_16192-.xyz ├── T144_1622.xyz ├── T144_16220+.xyz ├── T144_16220-.xyz ├── T144_16221+.xyz ├── T144_16221-.xyz ├── T144_16222+.xyz ├── T144_16222-.xyz ├── T144_1625.xyz ├── T144_16250+.xyz ├── T144_16250-.xyz ├── T144_16251+.xyz ├── T144_16251-.xyz ├── T144_16252+.xyz ├── T144_16252-.xyz ├── T144_1626.xyz ├── T144_16260+.xyz ├── T144_16260-.xyz ├── T144_16261+.xyz ├── T144_16261-.xyz ├── T144_16262+.xyz ├── T144_16262-.xyz ├── T144_1630.xyz ├── T144_16300+.xyz ├── T144_16300-.xyz ├── T144_16301+.xyz ├── T144_16301-.xyz ├── T144_16302+.xyz ├── T144_16302-.xyz ├── T144_1633.xyz ├── T144_16330+.xyz ├── T144_16330-.xyz ├── T144_16331+.xyz ├── T144_16331-.xyz ├── T144_1634.xyz ├── T144_16340+.xyz ├── T144_16340-.xyz ├── T144_16341+.xyz ├── T144_16341-.xyz ├── T144_16342+.xyz ├── T144_16342-.xyz ├── TAUT15_10a.xyz ├── TAUT15_10b.xyz ├── TAUT15_1a.xyz ├── TAUT15_1b.xyz ├── TAUT15_2a.xyz ├── TAUT15_2b.xyz ├── TAUT15_3a.xyz ├── TAUT15_3b.xyz ├── TAUT15_3c.xyz ├── TAUT15_3d.xyz ├── TAUT15_4a.xyz ├── TAUT15_4b.xyz ├── TAUT15_5a.xyz ├── TAUT15_5b.xyz ├── TAUT15_5c.xyz ├── TAUT15_6a.xyz ├── TAUT15_6b.xyz ├── TAUT15_6c.xyz ├── TAUT15_6d.xyz ├── TAUT15_7a.xyz ├── TAUT15_7b.xyz ├── TAUT15_8a.xyz ├── TAUT15_8b.xyz ├── TAUT15_9a.xyz ├── TAUT15_9b.xyz ├── TMB01_R1.xyz ├── TMB01_R2.xyz ├── TMB01_T1.xyz ├── TMB06_C1.xyz ├── TMB06_T1.xyz ├── TMB08_C1.xyz ├── TMB08_T1.xyz ├── TMB09_T1.xyz ├── TMB10_C1.xyz ├── TMB20_C1.xyz ├── TMB20_I1.xyz ├── TMB20_T1.xyz ├── TMB20_T2.xyz ├── TMB20_T3.xyz ├── TMB26_C1.xyz ├── TMB26_T1.xyz ├── TMB28_C1.xyz ├── TMB28_T1.xyz ├── TMB29_C2.xyz ├── TMB29_T1.xyz ├── TMB31_C1.xyz ├── TMB31_T1.xyz ├── TMD01_H.xyz ├── TMD02_O.xyz ├── TMD03_F.xyz ├── TMD04_S.xyz ├── TMD05_Cl.xyz ├── TMD06_Br.xyz ├── TMD07_Ti.xyz ├── TMD08_V.xyz ├── TMD09_Cr.xyz ├── TMD10_Mn.xyz ├── TMD11_Fe.xyz ├── TMD12_Co.xyz ├── TMD13_Cu.xyz ├── TMD14_Zn.xyz ├── TMD15_TiBr.xyz ├── TMD16_VO.xyz ├── TMD17_CrS.xyz ├── TMD18_MnBr.xyz ├── TMD19_FeCl.xyz ├── TMD20_FeS.xyz ├── TMD21_CoH.xyz ├── TMD22_CoF.xyz ├── TMD23_CuBr.xyz ├── TMD24_ZnS.xyz ├── UPU23_0a.xyz ├── UPU23_0b.xyz ├── UPU23_1a.xyz ├── UPU23_1b.xyz ├── UPU23_1c.xyz ├── UPU23_1e.xyz ├── UPU23_1f.xyz ├── UPU23_1g.xyz ├── UPU23_1m.xyz ├── UPU23_1p.xyz ├── UPU23_2a.xyz ├── UPU23_2h.xyz ├── UPU23_2p.xyz ├── UPU23_3a.xyz ├── UPU23_3b.xyz ├── UPU23_3d.xyz ├── UPU23_4b.xyz ├── UPU23_5z.xyz ├── UPU23_6p.xyz ├── UPU23_7a.xyz ├── UPU23_7p.xyz ├── UPU23_8d.xyz ├── UPU23_9a.xyz ├── UPU23_aa.xyz ├── V30_C2H2_Ar.xyz ├── V30_C2H2_Ar_1+.xyz ├── V30_C2H2_Ar_1-.xyz ├── V30_C2H2_Ar_2+.xyz ├── V30_C2H2_Ar_2-.xyz ├── V30_C2H2_Ar_3+.xyz ├── V30_C2H2_Ar_3-.xyz ├── V30_C2H2_Ar_4+.xyz ├── V30_C2H2_Ar_4-.xyz ├── V30_C2H2_Ar_5+.xyz ├── V30_C2H2_Ar_5-.xyz ├── V30_C2H2_Ar_6+.xyz ├── V30_C2H2_Ar_6-.xyz ├── V30_C2H2_Ar_7+.xyz ├── V30_C2H2_Ar_7-.xyz ├── V30_C2H2_Ar_8+.xyz ├── V30_C2H2_Ar_8-.xyz ├── V30_C2H2_C2H2.xyz ├── V30_C2H2_C2H2_1+.xyz ├── V30_C2H2_C2H2_1-.xyz ├── V30_C2H2_C2H2_10+.xyz ├── V30_C2H2_C2H2_10-.xyz ├── V30_C2H2_C2H2_11+.xyz ├── V30_C2H2_C2H2_11-.xyz ├── V30_C2H2_C2H2_12+.xyz ├── V30_C2H2_C2H2_12-.xyz ├── V30_C2H2_C2H2_13+.xyz ├── V30_C2H2_C2H2_13-.xyz ├── V30_C2H2_C2H2_14+.xyz ├── V30_C2H2_C2H2_14-.xyz ├── V30_C2H2_C2H2_15+.xyz ├── V30_C2H2_C2H2_15-.xyz ├── V30_C2H2_C2H2_16+.xyz ├── V30_C2H2_C2H2_16-.xyz ├── V30_C2H2_C2H2_17+.xyz ├── V30_C2H2_C2H2_17-.xyz ├── V30_C2H2_C2H2_2+.xyz ├── V30_C2H2_C2H2_2-.xyz ├── V30_C2H2_C2H2_3+.xyz ├── V30_C2H2_C2H2_3-.xyz ├── V30_C2H2_C2H2_4+.xyz ├── V30_C2H2_C2H2_4-.xyz ├── V30_C2H2_C2H2_5+.xyz ├── V30_C2H2_C2H2_5-.xyz ├── V30_C2H2_C2H2_6+.xyz ├── V30_C2H2_C2H2_6-.xyz ├── V30_C2H2_C2H2_7+.xyz ├── V30_C2H2_C2H2_7-.xyz ├── V30_C2H2_C2H2_8+.xyz ├── V30_C2H2_C2H2_8-.xyz ├── V30_C2H2_C2H2_9+.xyz ├── V30_C2H2_C2H2_9-.xyz ├── V30_C2H4_Ar.xyz ├── V30_C2H4_Ar_1+.xyz ├── V30_C2H4_Ar_1-.xyz ├── V30_C2H4_Ar_10+.xyz ├── V30_C2H4_Ar_10-.xyz ├── V30_C2H4_Ar_11+.xyz ├── V30_C2H4_Ar_11-.xyz ├── V30_C2H4_Ar_12+.xyz ├── V30_C2H4_Ar_12-.xyz ├── V30_C2H4_Ar_13+.xyz ├── V30_C2H4_Ar_13-.xyz ├── V30_C2H4_Ar_14+.xyz ├── V30_C2H4_Ar_14-.xyz ├── V30_C2H4_Ar_2+.xyz ├── V30_C2H4_Ar_2-.xyz ├── V30_C2H4_Ar_3+.xyz ├── V30_C2H4_Ar_3-.xyz ├── V30_C2H4_Ar_4+.xyz ├── V30_C2H4_Ar_4-.xyz ├── V30_C2H4_Ar_5+.xyz ├── V30_C2H4_Ar_5-.xyz ├── V30_C2H4_Ar_6+.xyz ├── V30_C2H4_Ar_6-.xyz ├── V30_C2H4_Ar_7+.xyz ├── V30_C2H4_Ar_7-.xyz ├── V30_C2H4_Ar_8+.xyz ├── V30_C2H4_Ar_8-.xyz ├── V30_C2H4_Ar_9+.xyz ├── V30_C2H4_Ar_9-.xyz ├── V30_CH3OH_H2O.xyz ├── V30_CH3OH_H2O_0+.xyz ├── V30_CH3OH_H2O_0-.xyz ├── V30_CH3OH_H2O_1+.xyz ├── V30_CH3OH_H2O_1-.xyz ├── V30_CH3OH_H2O_10+.xyz ├── V30_CH3OH_H2O_10-.xyz ├── V30_CH3OH_H2O_11+.xyz ├── V30_CH3OH_H2O_11-.xyz ├── V30_CH3OH_H2O_12+.xyz ├── V30_CH3OH_H2O_12-.xyz ├── V30_CH3OH_H2O_13+.xyz ├── V30_CH3OH_H2O_13-.xyz ├── V30_CH3OH_H2O_14+.xyz ├── V30_CH3OH_H2O_14-.xyz ├── V30_CH3OH_H2O_15+.xyz ├── V30_CH3OH_H2O_15-.xyz ├── V30_CH3OH_H2O_16+.xyz ├── V30_CH3OH_H2O_16-.xyz ├── V30_CH3OH_H2O_17+.xyz ├── V30_CH3OH_H2O_17-.xyz ├── V30_CH3OH_H2O_18+.xyz ├── V30_CH3OH_H2O_18-.xyz ├── V30_CH3OH_H2O_19+.xyz ├── V30_CH3OH_H2O_19-.xyz ├── V30_CH3OH_H2O_2+.xyz ├── V30_CH3OH_H2O_2-.xyz ├── V30_CH3OH_H2O_20+.xyz ├── V30_CH3OH_H2O_20-.xyz ├── V30_CH3OH_H2O_3+.xyz ├── V30_CH3OH_H2O_3-.xyz ├── V30_CH3OH_H2O_4+.xyz ├── V30_CH3OH_H2O_4-.xyz ├── V30_CH3OH_H2O_5+.xyz ├── V30_CH3OH_H2O_5-.xyz ├── V30_CH3OH_H2O_6+.xyz ├── V30_CH3OH_H2O_6-.xyz ├── V30_CH3OH_H2O_7+.xyz ├── V30_CH3OH_H2O_7-.xyz ├── V30_CH3OH_H2O_8+.xyz ├── V30_CH3OH_H2O_8-.xyz ├── V30_CH3OH_H2O_9+.xyz ├── V30_CH3OH_H2O_9-.xyz ├── V30_CH4_Ar.xyz ├── V30_CH4_Ar_0+.xyz ├── V30_CH4_Ar_0-.xyz ├── V30_CH4_Ar_1+.xyz ├── V30_CH4_Ar_1-.xyz ├── V30_CH4_Ar_11+.xyz ├── V30_CH4_Ar_11-.xyz ├── V30_CH4_Ar_2+.xyz ├── V30_CH4_Ar_2-.xyz ├── V30_CH4_Ar_3+.xyz ├── V30_CH4_Ar_3-.xyz ├── V30_CH4_Ar_5+.xyz ├── V30_CH4_Ar_5-.xyz ├── V30_CH4_Ar_7+.xyz ├── V30_CH4_Ar_7-.xyz ├── V30_CH4_Ar_8+.xyz ├── V30_CH4_Ar_8-.xyz ├── V30_CH4_Ar_9+.xyz ├── V30_CH4_Ar_9-.xyz ├── V30_CH4_CH4.xyz ├── V30_CH4_CH4_1+.xyz ├── V30_CH4_CH4_1-.xyz ├── V30_CH4_CH4_11+.xyz ├── V30_CH4_CH4_11-.xyz ├── V30_CH4_CH4_12+.xyz ├── V30_CH4_CH4_12-.xyz ├── V30_CH4_CH4_14+.xyz ├── V30_CH4_CH4_14-.xyz ├── V30_CH4_CH4_16+.xyz ├── V30_CH4_CH4_16-.xyz ├── V30_CH4_CH4_18+.xyz ├── V30_CH4_CH4_18-.xyz ├── V30_CH4_CH4_2+.xyz ├── V30_CH4_CH4_2-.xyz ├── V30_CH4_CH4_21+.xyz ├── V30_CH4_CH4_21-.xyz ├── V30_CH4_CH4_3+.xyz ├── V30_CH4_CH4_3-.xyz ├── V30_CH4_CH4_4+.xyz ├── V30_CH4_CH4_4-.xyz ├── V30_CH4_CH4_5+.xyz ├── V30_CH4_CH4_5-.xyz ├── V30_CH4_CH4_6+.xyz ├── V30_CH4_CH4_6-.xyz ├── V30_CH4_CH4_7+.xyz ├── V30_CH4_CH4_7-.xyz ├── V30_CH4_CH4_9+.xyz ├── V30_CH4_CH4_9-.xyz ├── V30_CH4_N2.xyz ├── V30_CH4_N2_10+.xyz ├── V30_CH4_N2_10-.xyz ├── V30_CH4_N2_11+.xyz ├── V30_CH4_N2_11-.xyz ├── V30_CH4_N2_12+.xyz ├── V30_CH4_N2_12-.xyz ├── V30_CH4_N2_13+.xyz ├── V30_CH4_N2_13-.xyz ├── V30_CH4_N2_14+.xyz ├── V30_CH4_N2_14-.xyz ├── V30_CH4_N2_2+.xyz ├── V30_CH4_N2_2-.xyz ├── V30_CH4_N2_3+.xyz ├── V30_CH4_N2_3-.xyz ├── V30_CH4_N2_4+.xyz ├── V30_CH4_N2_4-.xyz ├── V30_CH4_N2_5+.xyz ├── V30_CH4_N2_5-.xyz ├── V30_CH4_N2_6+.xyz ├── V30_CH4_N2_6-.xyz ├── V30_CH4_N2_8+.xyz ├── V30_CH4_N2_8-.xyz ├── V30_CH4_N2_9+.xyz ├── V30_CH4_N2_9-.xyz ├── V30_CO2_Ar.xyz ├── V30_CO2_Ar_1+.xyz ├── V30_CO2_Ar_1-.xyz ├── V30_CO2_Ar_2+.xyz ├── V30_CO2_Ar_2-.xyz ├── V30_CO2_Ar_3+.xyz ├── V30_CO2_Ar_3-.xyz ├── V30_CO2_Ar_4+.xyz ├── V30_CO2_Ar_4-.xyz ├── V30_CO2_Ar_5+.xyz ├── V30_CO2_Ar_5-.xyz ├── V30_CO2_CO2.xyz ├── V30_CO2_CO2_1+.xyz ├── V30_CO2_CO2_1-.xyz ├── V30_CO2_CO2_10+.xyz ├── V30_CO2_CO2_10-.xyz ├── V30_CO2_CO2_11+.xyz ├── V30_CO2_CO2_11-.xyz ├── V30_CO2_CO2_2+.xyz ├── V30_CO2_CO2_2-.xyz ├── V30_CO2_CO2_3+.xyz ├── V30_CO2_CO2_3-.xyz ├── V30_CO2_CO2_4+.xyz ├── V30_CO2_CO2_4-.xyz ├── V30_CO2_CO2_5+.xyz ├── V30_CO2_CO2_5-.xyz ├── V30_CO2_CO2_6+.xyz ├── V30_CO2_CO2_6-.xyz ├── V30_CO2_CO2_7+.xyz ├── V30_CO2_CO2_7-.xyz ├── V30_CO2_CO2_8+.xyz ├── V30_CO2_CO2_8-.xyz ├── V30_CO2_N2.xyz ├── V30_CO2_N2_2+.xyz ├── V30_CO2_N2_2-.xyz ├── V30_CO2_N2_3+.xyz ├── V30_CO2_N2_3-.xyz ├── V30_CO2_N2_4+.xyz ├── V30_CO2_N2_4-.xyz ├── V30_CO2_N2_5+.xyz ├── V30_CO2_N2_5-.xyz ├── V30_CO2_N2_6+.xyz ├── V30_CO2_N2_6-.xyz ├── V30_CO2_N2_7+.xyz ├── V30_CO2_N2_7-.xyz ├── V30_CO2_N2_8+.xyz ├── V30_CO2_N2_8-.xyz ├── V30_CO_Ar.xyz ├── V30_CO_Ar_2+.xyz ├── V30_CO_Ar_2-.xyz ├── V30_CO_CO.xyz ├── V30_CO_CO_3+.xyz ├── V30_CO_CO_3-.xyz ├── V30_CO_CO_4+.xyz ├── V30_CO_CO_4-.xyz ├── V30_CO_CO_5+.xyz ├── V30_CO_CO_5-.xyz ├── V30_H2O_Ar.xyz ├── V30_H2O_Ar_1+.xyz ├── V30_H2O_Ar_1-.xyz ├── V30_H2O_Ar_2+.xyz ├── V30_H2O_Ar_2-.xyz ├── V30_H2O_Ar_3+.xyz ├── V30_H2O_Ar_3-.xyz ├── V30_H2O_Ar_4+.xyz ├── V30_H2O_Ar_4-.xyz ├── V30_H2O_Ar_5+.xyz ├── V30_H2O_Ar_5-.xyz ├── V30_H2O_CH4.xyz ├── V30_H2O_CH4_1+.xyz ├── V30_H2O_CH4_1-.xyz ├── V30_H2O_CH4_10+.xyz ├── V30_H2O_CH4_10-.xyz ├── V30_H2O_CH4_11+.xyz ├── V30_H2O_CH4_11-.xyz ├── V30_H2O_CH4_12+.xyz ├── V30_H2O_CH4_12-.xyz ├── V30_H2O_CH4_13+.xyz ├── V30_H2O_CH4_13-.xyz ├── V30_H2O_CH4_14+.xyz ├── V30_H2O_CH4_14-.xyz ├── V30_H2O_CH4_15+.xyz ├── V30_H2O_CH4_15-.xyz ├── V30_H2O_CH4_16+.xyz ├── V30_H2O_CH4_16-.xyz ├── V30_H2O_CH4_17+.xyz ├── V30_H2O_CH4_17-.xyz ├── V30_H2O_CH4_2+.xyz ├── V30_H2O_CH4_2-.xyz ├── V30_H2O_CH4_3+.xyz ├── V30_H2O_CH4_3-.xyz ├── V30_H2O_CH4_5+.xyz ├── V30_H2O_CH4_5-.xyz ├── V30_H2O_CH4_6+.xyz ├── V30_H2O_CH4_6-.xyz ├── V30_H2O_CH4_7+.xyz ├── V30_H2O_CH4_7-.xyz ├── V30_H2O_CH4_8+.xyz ├── V30_H2O_CH4_8-.xyz ├── V30_H2O_CH4_9+.xyz ├── V30_H2O_CH4_9-.xyz ├── V30_H2O_CO2.xyz ├── V30_H2O_CO2_1+.xyz ├── V30_H2O_CO2_1-.xyz ├── V30_H2O_CO2_10+.xyz ├── V30_H2O_CO2_10-.xyz ├── V30_H2O_CO2_11+.xyz ├── V30_H2O_CO2_11-.xyz ├── V30_H2O_CO2_2+.xyz ├── V30_H2O_CO2_2-.xyz ├── V30_H2O_CO2_3+.xyz ├── V30_H2O_CO2_3-.xyz ├── V30_H2O_CO2_4+.xyz ├── V30_H2O_CO2_4-.xyz ├── V30_H2O_CO2_5+.xyz ├── V30_H2O_CO2_5-.xyz ├── V30_H2O_CO2_6+.xyz ├── V30_H2O_CO2_6-.xyz ├── V30_H2O_CO2_7+.xyz ├── V30_H2O_CO2_7-.xyz ├── V30_H2O_CO2_8+.xyz ├── V30_H2O_CO2_8-.xyz ├── V30_H2O_CO2_9+.xyz ├── V30_H2O_CO2_9-.xyz ├── V30_H2O_H2O.xyz ├── V30_H2O_H2O_10+.xyz ├── V30_H2O_H2O_10-.xyz ├── V30_H2O_H2O_11+.xyz ├── V30_H2O_H2O_11-.xyz ├── V30_H2O_H2O_2+.xyz ├── V30_H2O_H2O_2-.xyz ├── V30_H2O_H2O_3+.xyz ├── V30_H2O_H2O_3-.xyz ├── V30_H2O_H2O_4+.xyz ├── V30_H2O_H2O_4-.xyz ├── V30_H2O_H2O_5+.xyz ├── V30_H2O_H2O_5-.xyz ├── V30_H2O_H2O_6+.xyz ├── V30_H2O_H2O_6-.xyz ├── V30_H2O_H2O_7+.xyz ├── V30_H2O_H2O_7-.xyz ├── V30_H2O_H2O_8+.xyz ├── V30_H2O_H2O_8-.xyz ├── V30_H2O_H2O_9+.xyz ├── V30_H2O_H2O_9-.xyz ├── V30_H2O_NH3.xyz ├── V30_H2O_NH3_1+.xyz ├── V30_H2O_NH3_1-.xyz ├── V30_H2O_NH3_10+.xyz ├── V30_H2O_NH3_10-.xyz ├── V30_H2O_NH3_11+.xyz ├── V30_H2O_NH3_11-.xyz ├── V30_H2O_NH3_12+.xyz ├── V30_H2O_NH3_12-.xyz ├── V30_H2O_NH3_13+.xyz ├── V30_H2O_NH3_13-.xyz ├── V30_H2O_NH3_14+.xyz ├── V30_H2O_NH3_14-.xyz ├── V30_H2O_NH3_2+.xyz ├── V30_H2O_NH3_2-.xyz ├── V30_H2O_NH3_3+.xyz ├── V30_H2O_NH3_3-.xyz ├── V30_H2O_NH3_4+.xyz ├── V30_H2O_NH3_4-.xyz ├── V30_H2O_NH3_5+.xyz ├── V30_H2O_NH3_5-.xyz ├── V30_H2O_NH3_6+.xyz ├── V30_H2O_NH3_6-.xyz ├── V30_H2O_NH3_7+.xyz ├── V30_H2O_NH3_7-.xyz ├── V30_H2O_NH3_8+.xyz ├── V30_H2O_NH3_8-.xyz ├── V30_H2O_NH3_9+.xyz ├── V30_H2O_NH3_9-.xyz ├── V30_HF_Ar.xyz ├── V30_HF_Ar_0+.xyz ├── V30_HF_Ar_0-.xyz ├── V30_HF_Ar_1+.xyz ├── V30_HF_Ar_1-.xyz ├── V30_HF_Ar_3+.xyz ├── V30_HF_Ar_3-.xyz ├── V30_HF_C2H2.xyz ├── V30_HF_C2H2_0+.xyz ├── V30_HF_C2H2_0-.xyz ├── V30_HF_C2H2_1+.xyz ├── V30_HF_C2H2_1-.xyz ├── V30_HF_C2H2_10+.xyz ├── V30_HF_C2H2_10-.xyz ├── V30_HF_C2H2_11+.xyz ├── V30_HF_C2H2_11-.xyz ├── V30_HF_C2H2_2+.xyz ├── V30_HF_C2H2_2-.xyz ├── V30_HF_C2H2_3+.xyz ├── V30_HF_C2H2_3-.xyz ├── V30_HF_C2H2_4+.xyz ├── V30_HF_C2H2_4-.xyz ├── V30_HF_C2H2_5+.xyz ├── V30_HF_C2H2_5-.xyz ├── V30_HF_C2H2_6+.xyz ├── V30_HF_C2H2_6-.xyz ├── V30_HF_C2H2_7+.xyz ├── V30_HF_C2H2_7-.xyz ├── V30_HF_C2H2_8+.xyz ├── V30_HF_C2H2_8-.xyz ├── V30_HF_C2H2_9+.xyz ├── V30_HF_C2H2_9-.xyz ├── V30_HF_CH4.xyz ├── V30_HF_CH4_0+.xyz ├── V30_HF_CH4_0-.xyz ├── V30_HF_CH4_10+.xyz ├── V30_HF_CH4_10-.xyz ├── V30_HF_CH4_11+.xyz ├── V30_HF_CH4_11-.xyz ├── V30_HF_CH4_13+.xyz ├── V30_HF_CH4_13-.xyz ├── V30_HF_CH4_14+.xyz ├── V30_HF_CH4_14-.xyz ├── V30_HF_CH4_2+.xyz ├── V30_HF_CH4_2-.xyz ├── V30_HF_CH4_3+.xyz ├── V30_HF_CH4_3-.xyz ├── V30_HF_CH4_5+.xyz ├── V30_HF_CH4_5-.xyz ├── V30_HF_CH4_7+.xyz ├── V30_HF_CH4_7-.xyz ├── V30_HF_CH4_8+.xyz ├── V30_HF_CH4_8-.xyz ├── V30_HF_CH4_9+.xyz ├── V30_HF_CH4_9-.xyz ├── V30_HF_CO.xyz ├── V30_HF_CO_0+.xyz ├── V30_HF_CO_0-.xyz ├── V30_HF_CO_2+.xyz ├── V30_HF_CO_2-.xyz ├── V30_HF_CO_3+.xyz ├── V30_HF_CO_3-.xyz ├── V30_HF_CO_5+.xyz ├── V30_HF_CO_5-.xyz ├── V30_HF_CO_6+.xyz ├── V30_HF_CO_6-.xyz ├── V30_HF_H2O.xyz ├── V30_HF_H2O_0+.xyz ├── V30_HF_H2O_0-.xyz ├── V30_HF_H2O_1+.xyz ├── V30_HF_H2O_1-.xyz ├── V30_HF_H2O_2+.xyz ├── V30_HF_H2O_2-.xyz ├── V30_HF_H2O_3+.xyz ├── V30_HF_H2O_3-.xyz ├── V30_HF_H2O_4+.xyz ├── V30_HF_H2O_4-.xyz ├── V30_HF_H2O_5+.xyz ├── V30_HF_H2O_5-.xyz ├── V30_HF_H2O_6+.xyz ├── V30_HF_H2O_6-.xyz ├── V30_HF_H2O_7+.xyz ├── V30_HF_H2O_7-.xyz ├── V30_HF_H2O_8+.xyz ├── V30_HF_H2O_8-.xyz ├── V30_HF_HCN.xyz ├── V30_HF_HCN_0+.xyz ├── V30_HF_HCN_0-.xyz ├── V30_HF_HCN_2+.xyz ├── V30_HF_HCN_2-.xyz ├── V30_HF_HCN_3+.xyz ├── V30_HF_HCN_3-.xyz ├── V30_HF_HCN_5+.xyz ├── V30_HF_HCN_5-.xyz ├── V30_HF_HCN_7+.xyz ├── V30_HF_HCN_7-.xyz ├── V30_HF_HCN_8+.xyz ├── V30_HF_HCN_8-.xyz ├── V30_HF_HCN_9+.xyz ├── V30_HF_HCN_9-.xyz ├── V30_HF_HF.xyz ├── V30_HF_HF_0+.xyz ├── V30_HF_HF_0-.xyz ├── V30_HF_HF_1+.xyz ├── V30_HF_HF_1-.xyz ├── V30_HF_HF_2+.xyz ├── V30_HF_HF_2-.xyz ├── V30_HF_HF_3+.xyz ├── V30_HF_HF_3-.xyz ├── V30_HF_HF_4+.xyz ├── V30_HF_HF_4-.xyz ├── V30_HF_HF_5+.xyz ├── V30_HF_HF_5-.xyz ├── V30_HF_N2.xyz ├── V30_HF_N2_0+.xyz ├── V30_HF_N2_0-.xyz ├── V30_HF_N2_2+.xyz ├── V30_HF_N2_2-.xyz ├── V30_HF_N2_3+.xyz ├── V30_HF_N2_3-.xyz ├── V30_HF_N2_5+.xyz ├── V30_HF_N2_5-.xyz ├── V30_HF_N2_6+.xyz ├── V30_HF_N2_6-.xyz ├── V30_HF_NH3.xyz ├── V30_HF_NH3_0+.xyz ├── V30_HF_NH3_0-.xyz ├── V30_HF_NH3_10+.xyz ├── V30_HF_NH3_10-.xyz ├── V30_HF_NH3_2+.xyz ├── V30_HF_NH3_2-.xyz ├── V30_HF_NH3_3+.xyz ├── V30_HF_NH3_3-.xyz ├── V30_HF_NH3_5+.xyz ├── V30_HF_NH3_5-.xyz ├── V30_HF_NH3_6+.xyz ├── V30_HF_NH3_6-.xyz ├── V30_HF_NH3_7+.xyz ├── V30_HF_NH3_7-.xyz ├── V30_HF_NH3_8+.xyz ├── V30_HF_NH3_8-.xyz ├── V30_HF_NH3_9+.xyz ├── V30_HF_NH3_9-.xyz ├── V30_N2_Ar.xyz ├── V30_N2_Ar_2+.xyz ├── V30_N2_Ar_2-.xyz ├── V30_N2_N2.xyz ├── V30_N2_N2_3+.xyz ├── V30_N2_N2_3-.xyz ├── V30_N2_N2_4+.xyz ├── V30_N2_N2_4-.xyz ├── V30_N2_N2_5+.xyz ├── V30_N2_N2_5-.xyz ├── V30_NH3_Ar.xyz ├── V30_NH3_Ar_0+.xyz ├── V30_NH3_Ar_0-.xyz ├── V30_NH3_Ar_1+.xyz ├── V30_NH3_Ar_1-.xyz ├── V30_NH3_Ar_2+.xyz ├── V30_NH3_Ar_2-.xyz ├── V30_NH3_Ar_3+.xyz ├── V30_NH3_Ar_3-.xyz ├── V30_NH3_Ar_4+.xyz ├── V30_NH3_Ar_4-.xyz ├── V30_NH3_Ar_5+.xyz ├── V30_NH3_Ar_5-.xyz ├── V30_NH3_Ar_6+.xyz ├── V30_NH3_Ar_6-.xyz ├── V30_NH3_Ar_7+.xyz ├── V30_NH3_Ar_7-.xyz ├── V30_NH3_Ar_8+.xyz ├── V30_NH3_Ar_8-.xyz ├── V30_NH3_NH3.xyz ├── V30_NH3_NH3_0+.xyz ├── V30_NH3_NH3_0-.xyz ├── V30_NH3_NH3_1+.xyz ├── V30_NH3_NH3_1-.xyz ├── V30_NH3_NH3_10+.xyz ├── V30_NH3_NH3_10-.xyz ├── V30_NH3_NH3_11+.xyz ├── V30_NH3_NH3_11-.xyz ├── V30_NH3_NH3_12+.xyz ├── V30_NH3_NH3_12-.xyz ├── V30_NH3_NH3_13+.xyz ├── V30_NH3_NH3_13-.xyz ├── V30_NH3_NH3_14+.xyz ├── V30_NH3_NH3_14-.xyz ├── V30_NH3_NH3_15+.xyz ├── V30_NH3_NH3_15-.xyz ├── V30_NH3_NH3_16+.xyz ├── V30_NH3_NH3_16-.xyz ├── V30_NH3_NH3_17+.xyz ├── V30_NH3_NH3_17-.xyz ├── V30_NH3_NH3_2+.xyz ├── V30_NH3_NH3_2-.xyz ├── V30_NH3_NH3_3+.xyz ├── V30_NH3_NH3_3-.xyz ├── V30_NH3_NH3_4+.xyz ├── V30_NH3_NH3_4-.xyz ├── V30_NH3_NH3_5+.xyz ├── V30_NH3_NH3_5-.xyz ├── V30_NH3_NH3_6+.xyz ├── V30_NH3_NH3_6-.xyz ├── V30_NH3_NH3_7+.xyz ├── V30_NH3_NH3_7-.xyz ├── V30_NH3_NH3_8+.xyz ├── V30_NH3_NH3_8-.xyz ├── V30_NH3_NH3_9+.xyz ├── V30_NH3_NH3_9-.xyz ├── W4-17_acetaldehyde.xyz ├── W4-17_acetic.xyz ├── W4-17_al.xyz ├── W4-17_alcl.xyz ├── W4-17_alcl3.xyz ├── W4-17_alf.xyz ├── W4-17_alf3.xyz ├── W4-17_alh.xyz ├── W4-17_alh3.xyz ├── W4-17_allene.xyz ├── W4-17_allyl.xyz ├── W4-17_b.xyz ├── W4-17_b2.xyz ├── W4-17_b2h6.xyz ├── W4-17_benzene.xyz ├── W4-17_beta-lactim.xyz ├── W4-17_bf.xyz ├── W4-17_bf3.xyz ├── W4-17_bh.xyz ├── W4-17_bh3.xyz ├── W4-17_bhf2.xyz ├── W4-17_bn.xyz ├── W4-17_bn3pi.xyz ├── W4-17_borole.xyz ├── W4-17_c-hcoh.xyz ├── W4-17_c-hono.xyz ├── W4-17_c-hooo.xyz ├── W4-17_c-n2h2.xyz ├── W4-17_c.xyz ├── W4-17_c2.xyz ├── W4-17_c2cl2.xyz ├── W4-17_c2cl4.xyz ├── W4-17_c2cl6.xyz ├── W4-17_c2clh.xyz ├── W4-17_c2clh3.xyz ├── W4-17_c2clh5.xyz ├── W4-17_c2f4.xyz ├── W4-17_c2f6.xyz ├── W4-17_c2h2.xyz ├── W4-17_c2h3f.xyz ├── W4-17_c2h4.xyz ├── W4-17_c2h5f.xyz ├── W4-17_c2h6.xyz ├── W4-17_cch.xyz ├── W4-17_ccl2.xyz ├── W4-17_ccl2h2.xyz ├── W4-17_ccl2o.xyz ├── W4-17_ccl3h.xyz ├── W4-17_ccl4.xyz ├── W4-17_cclh3.xyz ├── W4-17_cf.xyz ├── W4-17_cf2.xyz ├── W4-17_cf2cl2.xyz ├── W4-17_cf4.xyz ├── W4-17_ch.xyz ├── W4-17_ch2-sing.xyz ├── W4-17_ch2-trip.xyz ├── W4-17_ch2c.xyz ├── W4-17_ch2ch.xyz ├── W4-17_ch2clf.xyz ├── W4-17_ch2f2.xyz ├── W4-17_ch2nh.xyz ├── W4-17_ch2nh2.xyz ├── W4-17_ch3.xyz ├── W4-17_ch3f.xyz ├── W4-17_ch3nh.xyz ├── W4-17_ch3nh2.xyz ├── W4-17_ch3ph2.xyz ├── W4-17_ch4.xyz ├── W4-17_chf3.xyz ├── W4-17_cis-c2f2cl2.xyz ├── W4-17_cl.xyz ├── W4-17_cl2.xyz ├── W4-17_cl2o.xyz ├── W4-17_clcn.xyz ├── W4-17_clcof.xyz ├── W4-17_clf.xyz ├── W4-17_clf3.xyz ├── W4-17_clf5.xyz ├── W4-17_clno.xyz ├── W4-17_clo.xyz ├── W4-17_clo3.xyz ├── W4-17_cloo.xyz ├── W4-17_cloocl.xyz ├── W4-17_cn.xyz ├── W4-17_co.xyz ├── W4-17_co2.xyz ├── W4-17_cs.xyz ├── W4-17_cs2.xyz ├── W4-17_cyclobutadiene.xyz ├── W4-17_cyclobutane.xyz ├── W4-17_cyclobutene.xyz ├── W4-17_cyclopentadiene.xyz ├── W4-17_cyclopropane.xyz ├── W4-17_cyclopropene.xyz ├── W4-17_cyclopropyl.xyz ├── W4-17_dioxetan2one.xyz ├── W4-17_dioxetane.xyz ├── W4-17_dioxirane.xyz ├── W4-17_dithiotane.xyz ├── W4-17_ethanol.xyz ├── W4-17_f.xyz ├── W4-17_f2.xyz ├── W4-17_f2co.xyz ├── W4-17_f2o.xyz ├── W4-17_fccf.xyz ├── W4-17_fno.xyz ├── W4-17_fo2.xyz ├── W4-17_foof.xyz ├── W4-17_formamide.xyz ├── W4-17_formic-anhydride.xyz ├── W4-17_formic.xyz ├── W4-17_furan.xyz ├── W4-17_glyoxal.xyz ├── W4-17_h.xyz ├── W4-17_h2.xyz ├── W4-17_h2ccn.xyz ├── W4-17_h2cn.xyz ├── W4-17_h2co.xyz ├── W4-17_h2no.xyz ├── W4-17_h2o.xyz ├── W4-17_h2s.xyz ├── W4-17_hccf.xyz ├── W4-17_hcl.xyz ├── W4-17_hclo4.xyz ├── W4-17_hcn.xyz ├── W4-17_hcnh.xyz ├── W4-17_hcno.xyz ├── W4-17_hco.xyz ├── W4-17_hcof.xyz ├── W4-17_hf.xyz ├── W4-17_hnc.xyz ├── W4-17_hnco.xyz ├── W4-17_hnnn.xyz ├── W4-17_hno.xyz ├── W4-17_hocl.xyz ├── W4-17_hoclo.xyz ├── W4-17_hoclo2.xyz ├── W4-17_hocn.xyz ├── W4-17_hof.xyz ├── W4-17_honc.xyz ├── W4-17_hoo.xyz ├── W4-17_hooh.xyz ├── W4-17_hs.xyz ├── W4-17_ketene.xyz ├── W4-17_methanol.xyz ├── W4-17_n-butane.xyz ├── W4-17_n-pentane.xyz ├── W4-17_n.xyz ├── W4-17_n2.xyz ├── W4-17_n2h.xyz ├── W4-17_n2h4.xyz ├── W4-17_n2o.xyz ├── W4-17_n2o4.xyz ├── W4-17_nccn.xyz ├── W4-17_nh.xyz ├── W4-17_nh2.xyz ├── W4-17_nh2cl.xyz ├── W4-17_nh2f.xyz ├── W4-17_nh2oh.xyz ├── W4-17_nh3.xyz ├── W4-17_no.xyz ├── W4-17_no2.xyz ├── W4-17_o.xyz ├── W4-17_o2.xyz ├── W4-17_o3.xyz ├── W4-17_oclo.xyz ├── W4-17_ocs.xyz ├── W4-17_of.xyz ├── W4-17_oh.xyz ├── W4-17_oxadiazole.xyz ├── W4-17_oxetane.xyz ├── W4-17_oxirane.xyz ├── W4-17_oxirene.xyz ├── W4-17_p.xyz ├── W4-17_p2.xyz ├── W4-17_p4.xyz ├── W4-17_pf3.xyz ├── W4-17_pf5.xyz ├── W4-17_ph3.xyz ├── W4-17_propane.xyz ├── W4-17_propene.xyz ├── W4-17_propyne.xyz ├── W4-17_pyrrole.xyz ├── W4-17_s.xyz ├── W4-17_s2.xyz ├── W4-17_s2o.xyz ├── W4-17_s3.xyz ├── W4-17_s4-c2v.xyz ├── W4-17_sf6.xyz ├── W4-17_si.xyz ├── W4-17_si2h6.xyz ├── W4-17_sif.xyz ├── W4-17_sif4.xyz ├── W4-17_sih.xyz ├── W4-17_sih3f.xyz ├── W4-17_sih4.xyz ├── W4-17_silole.xyz ├── W4-17_sio.xyz ├── W4-17_so.xyz ├── W4-17_so2.xyz ├── W4-17_so3.xyz ├── W4-17_ssh.xyz ├── W4-17_t-butadiene.xyz ├── W4-17_t-hcoh.xyz ├── W4-17_t-hono.xyz ├── W4-17_t-hooo.xyz ├── W4-17_t-n2h2.xyz ├── W4-17_tetrahedrane.xyz ├── W4-17_thiophene.xyz ├── W4-17_trans-c2f2cl2.xyz ├── WATER27_H2O.xyz ├── WATER27_H2O2.xyz ├── WATER27_H2O20.xyz ├── WATER27_H2O20es.xyz ├── WATER27_H2O20fc.xyz ├── WATER27_H2O20fs.xyz ├── WATER27_H2O3.xyz ├── WATER27_H2O4.xyz ├── WATER27_H2O5.xyz ├── WATER27_H2O6.xyz ├── WATER27_H2O6b.xyz ├── WATER27_H2O6c.xyz ├── WATER27_H2O6c2.xyz ├── WATER27_H2O8d2d.xyz ├── WATER27_H2O8s4.xyz ├── WATER27_H3Op.xyz ├── WATER27_H3OpH2O.xyz ├── WATER27_H3OpH2O2.xyz ├── WATER27_H3OpH2O3.xyz ├── WATER27_H3OpH2O62d.xyz ├── WATER27_H3OpH2O63d.xyz ├── WATER27_H3OpH2O6OHm.xyz ├── WATER27_OHm.xyz ├── WATER27_OHmH2O.xyz ├── WATER27_OHmH2O2.xyz ├── WATER27_OHmH2O3.xyz ├── WATER27_OHmH2O4c4.xyz ├── WATER27_OHmH2O4cs.xyz ├── WATER27_OHmH2O5.xyz ├── WATER27_OHmH2O6.xyz ├── X40x10_01_methane-F2_0.80.xyz ├── X40x10_01_methane-F2_0.85.xyz ├── X40x10_01_methane-F2_0.90.xyz ├── X40x10_01_methane-F2_0.95.xyz ├── X40x10_01_methane-F2_1.00.xyz ├── X40x10_01_methane-F2_1.50.xyz ├── X40x10_01_methane-F2_monA.xyz ├── X40x10_01_methane-F2_monB.xyz ├── X40x10_02_methane-Cl2_0.80.xyz ├── X40x10_02_methane-Cl2_0.85.xyz ├── X40x10_02_methane-Cl2_0.90.xyz ├── X40x10_02_methane-Cl2_0.95.xyz ├── X40x10_02_methane-Cl2_1.00.xyz ├── X40x10_02_methane-Cl2_1.50.xyz ├── X40x10_02_methane-Cl2_monA.xyz ├── X40x10_02_methane-Cl2_monB.xyz ├── X40x10_03_methane-Br2_0.80.xyz ├── X40x10_03_methane-Br2_0.85.xyz ├── X40x10_03_methane-Br2_0.90.xyz ├── X40x10_03_methane-Br2_0.95.xyz ├── X40x10_03_methane-Br2_1.00.xyz ├── X40x10_03_methane-Br2_1.50.xyz ├── X40x10_03_methane-Br2_monA.xyz ├── X40x10_03_methane-Br2_monB.xyz ├── X40x10_04_methane-I2_0.80.xyz ├── X40x10_04_methane-I2_0.85.xyz ├── X40x10_04_methane-I2_0.90.xyz ├── X40x10_04_methane-I2_0.95.xyz ├── X40x10_04_methane-I2_1.00.xyz ├── X40x10_04_methane-I2_1.50.xyz ├── X40x10_04_methane-I2_monA.xyz ├── X40x10_04_methane-I2_monB.xyz ├── X40x10_05_fluoromethane-methane_0.80.xyz ├── X40x10_05_fluoromethane-methane_0.85.xyz ├── X40x10_05_fluoromethane-methane_0.90.xyz ├── X40x10_05_fluoromethane-methane_0.95.xyz ├── X40x10_05_fluoromethane-methane_1.00.xyz ├── X40x10_05_fluoromethane-methane_1.50.xyz ├── X40x10_05_fluoromethane-methane_monA.xyz ├── X40x10_05_fluoromethane-methane_monB.xyz ├── X40x10_06_chloromethane-methane_0.80.xyz ├── X40x10_06_chloromethane-methane_0.85.xyz ├── X40x10_06_chloromethane-methane_0.90.xyz ├── X40x10_06_chloromethane-methane_0.95.xyz ├── X40x10_06_chloromethane-methane_1.00.xyz ├── X40x10_06_chloromethane-methane_1.50.xyz ├── X40x10_06_chloromethane-methane_monA.xyz ├── X40x10_06_chloromethane-methane_monB.xyz ├── X40x10_07_trifluoromethane-methane_0.80.xyz ├── X40x10_07_trifluoromethane-methane_0.85.xyz ├── X40x10_07_trifluoromethane-methane_0.90.xyz ├── X40x10_07_trifluoromethane-methane_0.95.xyz ├── X40x10_07_trifluoromethane-methane_1.00.xyz ├── X40x10_07_trifluoromethane-methane_1.50.xyz ├── X40x10_07_trifluoromethane-methane_monA.xyz ├── X40x10_07_trifluoromethane-methane_monB.xyz ├── X40x10_08_trichloromethane-methane_0.80.xyz ├── X40x10_08_trichloromethane-methane_0.85.xyz ├── X40x10_08_trichloromethane-methane_0.90.xyz ├── X40x10_08_trichloromethane-methane_0.95.xyz ├── X40x10_08_trichloromethane-methane_1.00.xyz ├── X40x10_08_trichloromethane-methane_1.50.xyz ├── X40x10_08_trichloromethane-methane_monA.xyz ├── X40x10_08_trichloromethane-methane_monB.xyz ├── X40x10_09_fluoromethane-fluoromethane_0.80.xyz ├── X40x10_09_fluoromethane-fluoromethane_0.85.xyz ├── X40x10_09_fluoromethane-fluoromethane_0.90.xyz ├── X40x10_09_fluoromethane-fluoromethane_0.95.xyz ├── X40x10_09_fluoromethane-fluoromethane_1.00.xyz ├── X40x10_09_fluoromethane-fluoromethane_1.50.xyz ├── X40x10_09_fluoromethane-fluoromethane_monA.xyz ├── X40x10_09_fluoromethane-fluoromethane_monB.xyz ├── X40x10_10_chloromethane-chloromethane_0.80.xyz ├── X40x10_10_chloromethane-chloromethane_0.85.xyz ├── X40x10_10_chloromethane-chloromethane_0.90.xyz ├── X40x10_10_chloromethane-chloromethane_0.95.xyz ├── X40x10_10_chloromethane-chloromethane_1.00.xyz ├── X40x10_10_chloromethane-chloromethane_1.50.xyz ├── X40x10_10_chloromethane-chloromethane_monA.xyz ├── X40x10_10_chloromethane-chloromethane_monB.xyz ├── X40x10_11_benF3-ben_0.80.xyz ├── X40x10_11_benF3-ben_0.85.xyz ├── X40x10_11_benF3-ben_0.90.xyz ├── X40x10_11_benF3-ben_0.95.xyz ├── X40x10_11_benF3-ben_1.00.xyz ├── X40x10_11_benF3-ben_1.50.xyz ├── X40x10_11_benF3-ben_monA.xyz ├── X40x10_11_benF3-ben_monB.xyz ├── X40x10_12_benF6-ben_0.80.xyz ├── X40x10_12_benF6-ben_0.85.xyz ├── X40x10_12_benF6-ben_0.90.xyz ├── X40x10_12_benF6-ben_0.95.xyz ├── X40x10_12_benF6-ben_1.00.xyz ├── X40x10_12_benF6-ben_1.50.xyz ├── X40x10_12_benF6-ben_monA.xyz ├── X40x10_12_benF6-ben_monB.xyz ├── X40x10_13_chloromethane-formaldehyde_0.80.xyz ├── X40x10_13_chloromethane-formaldehyde_0.85.xyz ├── X40x10_13_chloromethane-formaldehyde_0.90.xyz ├── X40x10_13_chloromethane-formaldehyde_0.95.xyz ├── X40x10_13_chloromethane-formaldehyde_1.00.xyz ├── X40x10_13_chloromethane-formaldehyde_1.50.xyz ├── X40x10_13_chloromethane-formaldehyde_monA.xyz ├── X40x10_13_chloromethane-formaldehyde_monB.xyz ├── X40x10_14_bromomethane-formaldehyde_0.80.xyz ├── X40x10_14_bromomethane-formaldehyde_0.85.xyz ├── X40x10_14_bromomethane-formaldehyde_0.90.xyz ├── X40x10_14_bromomethane-formaldehyde_0.95.xyz ├── X40x10_14_bromomethane-formaldehyde_1.00.xyz ├── X40x10_14_bromomethane-formaldehyde_1.50.xyz ├── X40x10_14_bromomethane-formaldehyde_monA.xyz ├── X40x10_14_bromomethane-formaldehyde_monB.xyz ├── X40x10_15_iodomethane-formaldehyde_0.80.xyz ├── X40x10_15_iodomethane-formaldehyde_0.85.xyz ├── X40x10_15_iodomethane-formaldehyde_0.90.xyz ├── X40x10_15_iodomethane-formaldehyde_0.95.xyz ├── X40x10_15_iodomethane-formaldehyde_1.00.xyz ├── X40x10_15_iodomethane-formaldehyde_1.50.xyz ├── X40x10_15_iodomethane-formaldehyde_monA.xyz ├── X40x10_15_iodomethane-formaldehyde_monB.xyz ├── X40x10_16_F3chloromethane-formaldehyde_0.80.xyz ├── X40x10_16_F3chloromethane-formaldehyde_0.85.xyz ├── X40x10_16_F3chloromethane-formaldehyde_0.90.xyz ├── X40x10_16_F3chloromethane-formaldehyde_0.95.xyz ├── X40x10_16_F3chloromethane-formaldehyde_1.00.xyz ├── X40x10_16_F3chloromethane-formaldehyde_1.50.xyz ├── X40x10_16_F3chloromethane-formaldehyde_monA.xyz ├── X40x10_16_F3chloromethane-formaldehyde_monB.xyz ├── X40x10_17_F3bromomethane-formaldehyde_0.80.xyz ├── X40x10_17_F3bromomethane-formaldehyde_0.85.xyz ├── X40x10_17_F3bromomethane-formaldehyde_0.90.xyz ├── X40x10_17_F3bromomethane-formaldehyde_0.95.xyz ├── X40x10_17_F3bromomethane-formaldehyde_1.00.xyz ├── X40x10_17_F3bromomethane-formaldehyde_1.50.xyz ├── X40x10_17_F3bromomethane-formaldehyde_monA.xyz ├── X40x10_17_F3bromomethane-formaldehyde_monB.xyz ├── X40x10_18_F3iodomethane-formaldehyde_0.80.xyz ├── X40x10_18_F3iodomethane-formaldehyde_0.85.xyz ├── X40x10_18_F3iodomethane-formaldehyde_0.90.xyz ├── X40x10_18_F3iodomethane-formaldehyde_0.95.xyz ├── X40x10_18_F3iodomethane-formaldehyde_1.00.xyz ├── X40x10_18_F3iodomethane-formaldehyde_1.50.xyz ├── X40x10_18_F3iodomethane-formaldehyde_monA.xyz ├── X40x10_18_F3iodomethane-formaldehyde_monB.xyz ├── X40x10_19_benCl-acetone_0.80.xyz ├── X40x10_19_benCl-acetone_0.85.xyz ├── X40x10_19_benCl-acetone_0.90.xyz ├── X40x10_19_benCl-acetone_0.95.xyz ├── X40x10_19_benCl-acetone_1.00.xyz ├── X40x10_19_benCl-acetone_1.50.xyz ├── X40x10_19_benCl-acetone_monA.xyz ├── X40x10_19_benCl-acetone_monB.xyz ├── X40x10_20_benBr-acetone_0.80.xyz ├── X40x10_20_benBr-acetone_0.85.xyz ├── X40x10_20_benBr-acetone_0.90.xyz ├── X40x10_20_benBr-acetone_0.95.xyz ├── X40x10_20_benBr-acetone_1.00.xyz ├── X40x10_20_benBr-acetone_1.50.xyz ├── X40x10_20_benBr-acetone_monA.xyz ├── X40x10_20_benBr-acetone_monB.xyz ├── X40x10_21_benI-acetone_0.80.xyz ├── X40x10_21_benI-acetone_0.85.xyz ├── X40x10_21_benI-acetone_0.90.xyz ├── X40x10_21_benI-acetone_0.95.xyz ├── X40x10_21_benI-acetone_1.00.xyz ├── X40x10_21_benI-acetone_1.50.xyz ├── X40x10_21_benI-acetone_monA.xyz ├── X40x10_21_benI-acetone_monB.xyz ├── X40x10_22_benCl-Nm3_0.80.xyz ├── X40x10_22_benCl-Nm3_0.85.xyz ├── X40x10_22_benCl-Nm3_0.90.xyz ├── X40x10_22_benCl-Nm3_0.95.xyz ├── X40x10_22_benCl-Nm3_1.00.xyz ├── X40x10_22_benCl-Nm3_1.50.xyz ├── X40x10_22_benCl-Nm3_monA.xyz ├── X40x10_22_benCl-Nm3_monB.xyz ├── X40x10_23_benBr-Nm3_0.80.xyz ├── X40x10_23_benBr-Nm3_0.85.xyz ├── X40x10_23_benBr-Nm3_0.90.xyz ├── X40x10_23_benBr-Nm3_0.95.xyz ├── X40x10_23_benBr-Nm3_1.00.xyz ├── X40x10_23_benBr-Nm3_1.50.xyz ├── X40x10_23_benBr-Nm3_monA.xyz ├── X40x10_23_benBr-Nm3_monB.xyz ├── X40x10_24_benI-Nm3_0.80.xyz ├── X40x10_24_benI-Nm3_0.85.xyz ├── X40x10_24_benI-Nm3_0.90.xyz ├── X40x10_24_benI-Nm3_0.95.xyz ├── X40x10_24_benI-Nm3_1.00.xyz ├── X40x10_24_benI-Nm3_1.50.xyz ├── X40x10_24_benI-Nm3_monA.xyz ├── X40x10_24_benI-Nm3_monB.xyz ├── X40x10_25_benBr-mSH_0.80.xyz ├── X40x10_25_benBr-mSH_0.85.xyz ├── X40x10_25_benBr-mSH_0.90.xyz ├── X40x10_25_benBr-mSH_0.95.xyz ├── X40x10_25_benBr-mSH_1.00.xyz ├── X40x10_25_benBr-mSH_1.50.xyz ├── X40x10_25_benBr-mSH_monA.xyz ├── X40x10_25_benBr-mSH_monB.xyz ├── X40x10_26_benI-mSH_0.80.xyz ├── X40x10_26_benI-mSH_0.85.xyz ├── X40x10_26_benI-mSH_0.90.xyz ├── X40x10_26_benI-mSH_0.95.xyz ├── X40x10_26_benI-mSH_1.00.xyz ├── X40x10_26_benI-mSH_1.50.xyz ├── X40x10_26_benI-mSH_monA.xyz ├── X40x10_26_benI-mSH_monB.xyz ├── X40x10_27_CH3Br-ben_0.80.xyz ├── X40x10_27_CH3Br-ben_0.85.xyz ├── X40x10_27_CH3Br-ben_0.90.xyz ├── X40x10_27_CH3Br-ben_0.95.xyz ├── X40x10_27_CH3Br-ben_1.00.xyz ├── X40x10_27_CH3Br-ben_1.50.xyz ├── X40x10_27_CH3Br-ben_monA.xyz ├── X40x10_27_CH3Br-ben_monB.xyz ├── X40x10_28_CH3I-ben_0.80.xyz ├── X40x10_28_CH3I-ben_0.85.xyz ├── X40x10_28_CH3I-ben_0.90.xyz ├── X40x10_28_CH3I-ben_0.95.xyz ├── X40x10_28_CH3I-ben_1.00.xyz ├── X40x10_28_CH3I-ben_1.50.xyz ├── X40x10_28_CH3I-ben_monA.xyz ├── X40x10_28_CH3I-ben_monB.xyz ├── X40x10_29_CF3Br-ben_0.80.xyz ├── X40x10_29_CF3Br-ben_0.85.xyz ├── X40x10_29_CF3Br-ben_0.90.xyz ├── X40x10_29_CF3Br-ben_0.95.xyz ├── X40x10_29_CF3Br-ben_1.00.xyz ├── X40x10_29_CF3Br-ben_1.50.xyz ├── X40x10_29_CF3Br-ben_monA.xyz ├── X40x10_29_CF3Br-ben_monB.xyz ├── X40x10_30_CF3I-ben_0.80.xyz ├── X40x10_30_CF3I-ben_0.85.xyz ├── X40x10_30_CF3I-ben_0.90.xyz ├── X40x10_30_CF3I-ben_0.95.xyz ├── X40x10_30_CF3I-ben_1.00.xyz ├── X40x10_30_CF3I-ben_1.50.xyz ├── X40x10_30_CF3I-ben_monA.xyz ├── X40x10_30_CF3I-ben_monB.xyz ├── X40x10_31_trifluorometOH-wat_0.80.xyz ├── X40x10_31_trifluorometOH-wat_0.85.xyz ├── X40x10_31_trifluorometOH-wat_0.90.xyz ├── X40x10_31_trifluorometOH-wat_0.95.xyz ├── X40x10_31_trifluorometOH-wat_1.00.xyz ├── X40x10_31_trifluorometOH-wat_1.50.xyz ├── X40x10_31_trifluorometOH-wat_monA.xyz ├── X40x10_31_trifluorometOH-wat_monB.xyz ├── X40x10_32_trichlorometOH-wat_0.80.xyz ├── X40x10_32_trichlorometOH-wat_0.85.xyz ├── X40x10_32_trichlorometOH-wat_0.90.xyz ├── X40x10_32_trichlorometOH-wat_0.95.xyz ├── X40x10_32_trichlorometOH-wat_1.00.xyz ├── X40x10_32_trichlorometOH-wat_1.50.xyz ├── X40x10_32_trichlorometOH-wat_monA.xyz ├── X40x10_32_trichlorometOH-wat_monB.xyz ├── X40x10_33_HF-mOH_0.80.xyz ├── X40x10_33_HF-mOH_0.85.xyz ├── X40x10_33_HF-mOH_0.90.xyz ├── X40x10_33_HF-mOH_0.95.xyz ├── X40x10_33_HF-mOH_1.00.xyz ├── X40x10_33_HF-mOH_1.50.xyz ├── X40x10_33_HF-mOH_monA.xyz ├── X40x10_33_HF-mOH_monB.xyz ├── X40x10_34_HCl-mOH_0.80.xyz ├── X40x10_34_HCl-mOH_0.85.xyz ├── X40x10_34_HCl-mOH_0.90.xyz ├── X40x10_34_HCl-mOH_0.95.xyz ├── X40x10_34_HCl-mOH_1.00.xyz ├── X40x10_34_HCl-mOH_1.50.xyz ├── X40x10_34_HCl-mOH_monA.xyz ├── X40x10_34_HCl-mOH_monB.xyz ├── X40x10_35_HBr-mOH_0.80.xyz ├── X40x10_35_HBr-mOH_0.85.xyz ├── X40x10_35_HBr-mOH_0.90.xyz ├── X40x10_35_HBr-mOH_0.95.xyz ├── X40x10_35_HBr-mOH_1.00.xyz ├── X40x10_35_HBr-mOH_1.50.xyz ├── X40x10_35_HBr-mOH_monA.xyz ├── X40x10_35_HBr-mOH_monB.xyz ├── X40x10_36_HI-mOH_0.80.xyz ├── X40x10_36_HI-mOH_0.85.xyz ├── X40x10_36_HI-mOH_0.90.xyz ├── X40x10_36_HI-mOH_0.95.xyz ├── X40x10_36_HI-mOH_1.00.xyz ├── X40x10_36_HI-mOH_1.50.xyz ├── X40x10_36_HI-mOH_monA.xyz ├── X40x10_36_HI-mOH_monB.xyz ├── X40x10_37_HF-mNH2_0.80.xyz ├── X40x10_37_HF-mNH2_0.85.xyz ├── X40x10_37_HF-mNH2_0.90.xyz ├── X40x10_37_HF-mNH2_0.95.xyz ├── X40x10_37_HF-mNH2_1.00.xyz ├── X40x10_37_HF-mNH2_1.50.xyz ├── X40x10_37_HF-mNH2_monA.xyz ├── X40x10_37_HF-mNH2_monB.xyz ├── X40x10_38_HCl-mNH2_0.80.xyz ├── X40x10_38_HCl-mNH2_0.85.xyz ├── X40x10_38_HCl-mNH2_0.90.xyz ├── X40x10_38_HCl-mNH2_0.95.xyz ├── X40x10_38_HCl-mNH2_1.00.xyz ├── X40x10_38_HCl-mNH2_1.50.xyz ├── X40x10_38_HCl-mNH2_monA.xyz ├── X40x10_38_HCl-mNH2_monB.xyz ├── X40x10_39_methanol-fluoromethane_0.80.xyz ├── X40x10_39_methanol-fluoromethane_0.85.xyz ├── X40x10_39_methanol-fluoromethane_0.90.xyz ├── X40x10_39_methanol-fluoromethane_0.95.xyz ├── X40x10_39_methanol-fluoromethane_1.00.xyz ├── X40x10_39_methanol-fluoromethane_1.50.xyz ├── X40x10_39_methanol-fluoromethane_monA.xyz ├── X40x10_39_methanol-fluoromethane_monB.xyz ├── X40x10_40_methanol-chloromethane_0.80.xyz ├── X40x10_40_methanol-chloromethane_0.85.xyz ├── X40x10_40_methanol-chloromethane_0.90.xyz ├── X40x10_40_methanol-chloromethane_0.95.xyz ├── X40x10_40_methanol-chloromethane_1.00.xyz ├── X40x10_40_methanol-chloromethane_1.50.xyz ├── X40x10_40_methanol-chloromethane_monA.xyz ├── X40x10_40_methanol-chloromethane_monB.xyz ├── YBDE18_cbh22.xyz ├── YBDE18_ch2.xyz ├── YBDE18_f2s-cbh22.xyz ├── YBDE18_f2s-ch2.xyz ├── YBDE18_f2s.xyz ├── YBDE18_h2s-cbh22.xyz ├── YBDE18_h2s-ch2.xyz ├── YBDE18_h2s.xyz ├── YBDE18_me2s-cbh22.xyz ├── YBDE18_me2s-ch2.xyz ├── YBDE18_me2s.xyz ├── YBDE18_nf3-cbh22.xyz ├── YBDE18_nf3-ch2.xyz ├── YBDE18_nf3.xyz ├── YBDE18_nh3-cbh22.xyz ├── YBDE18_nh3-ch2.xyz ├── YBDE18_nh3.xyz ├── YBDE18_nme3-cbh22.xyz ├── YBDE18_nme3-ch2.xyz ├── YBDE18_nme3.xyz ├── YBDE18_pf3-cbh22.xyz ├── YBDE18_pf3-ch2.xyz 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