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acetaldehyde_cas5pt3_avtz_S0min_sa2_1As.inp
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data Martial
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2022-03-16 12:56:46 +01:00 |
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acetaldehyde_cas5pt3_avtz_S0min_sa2_1As.out
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data Martial
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2022-03-16 12:56:46 +01:00 |
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acetaldehyde_cas5pt3_avtz_S0min_sa2_3As.inp
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data Martial
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2022-03-16 12:56:46 +01:00 |
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acetaldehyde_cas5pt3_avtz_S0min_sa2_3As.out
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data Martial
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2022-03-16 12:56:46 +01:00 |
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acetone_cas4pt3_avtz_S0min_sa2_1A1_triplet.inp
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data Martial
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2022-03-16 12:56:46 +01:00 |
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acetone_cas4pt3_avtz_S0min_sa2_1A1_triplet.out
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data Martial
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acetone_cas5pt3_avtz_S0min_sa2_1A2_triplet.inp
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data Martial
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2022-03-16 12:56:46 +01:00 |
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acetone_cas5pt3_avtz_S0min_sa2_1A2_triplet.out
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data Martial
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2022-03-16 12:56:46 +01:00 |
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acetone_cas6pt3_avtz_S0min_sa2_2A1.inp
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data Martial
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2022-03-16 12:56:46 +01:00 |
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acetone_cas6pt3_avtz_S0min_sa2_2A1.out
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data Martial
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2022-03-16 12:56:46 +01:00 |
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acetone_cas6pt3_avtz_S0min_sa3_2A2.inp
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data Martial
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2022-03-16 12:56:46 +01:00 |
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acetone_cas6pt3_avtz_S0min_sa3_2A2.out
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data Martial
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2022-03-16 12:56:46 +01:00 |
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acetone_cas7pt3_avtz_S0min_sa3_2B2.inp
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data Martial
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2022-03-16 12:56:46 +01:00 |
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acetone_cas7pt3_avtz_S0min_sa3_2B2.out
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data Martial
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2022-03-16 12:56:46 +01:00 |
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acrolein_cas6pt3_avtz_S0min_sa4_3Ap_triplet.inp
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data Martial
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2022-03-16 12:56:46 +01:00 |
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acrolein_cas6pt3_avtz_S0min_sa4_3Ap_triplet.out
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data Martial
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2022-03-16 12:56:46 +01:00 |
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acrolein_cas6pt3_avtz_S0min_sa4_3As_triplet.inp
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data Martial
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2022-03-16 12:56:46 +01:00 |
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acrolein_cas6pt3_avtz_S0min_sa4_3As_triplet.out
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data Martial
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2022-03-16 12:56:46 +01:00 |
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acrolein_cas6pt3_avtz_S0min_sa4_3As.inp
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data Martial
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2022-03-16 12:56:46 +01:00 |
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acrolein_cas6pt3_avtz_S0min_sa4_3As.out
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data Martial
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2022-03-16 12:56:46 +01:00 |
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acrolein_cas6pt3_avtz_S0min_sa4_4Ap.inp
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data Martial
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2022-03-16 12:56:46 +01:00 |
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acrolein_cas6pt3_avtz_S0min_sa4_4Ap.out
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data Martial
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2022-03-16 12:56:46 +01:00 |
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benzene_cas6pt3_avtz_S0min_sa2_1B2u.inp
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data Martial
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2022-03-16 12:56:46 +01:00 |
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benzene_cas6pt3_avtz_S0min_sa2_1B2u.out
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data Martial
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2022-03-16 12:56:46 +01:00 |
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benzene_cas6pt3_avtz_S0min_sa3_1E2g_ls04.inp
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data Martial
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2022-03-16 12:56:46 +01:00 |
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benzene_cas6pt3_avtz_S0min_sa3_1E2g_ls04.out
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data Martial
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2022-03-16 12:56:46 +01:00 |
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benzene_cas6pt3_avtz_S0min_sa3_1E2g.inp
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data Martial
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2022-03-16 12:56:46 +01:00 |
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benzene_cas6pt3_avtz_S0min_sa3_1E2g.out
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data Martial
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benzene_cas7pt3_avtz_S0min_sa3_1E1g.inp
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data Martial
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2022-03-16 12:56:46 +01:00 |
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benzene_cas7pt3_avtz_S0min_sa3_1E1g.out
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data Martial
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2022-03-16 12:56:46 +01:00 |
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benzene_cas8pt3_avtz_S0min_sa4_1E2u.inp
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data Martial
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2022-03-16 12:56:46 +01:00 |
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benzene_cas8pt3_avtz_S0min_sa4_1E2u.out
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data Martial
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2022-03-16 12:56:46 +01:00 |
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benzene_cas9pt3_avtz_S0min_sa2_1B1u_triplet.inp
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data Martial
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2022-03-16 12:56:46 +01:00 |
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benzene_cas9pt3_avtz_S0min_sa2_1B1u_triplet.out
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data Martial
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benzene_cas9pt3_avtz_S0min_sa2_1B2u_triplet.inp
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data Martial
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2022-03-16 12:56:46 +01:00 |
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benzene_cas9pt3_avtz_S0min_sa2_1B2u_triplet.out
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data Martial
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2022-03-16 12:56:46 +01:00 |
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benzene_cas9pt3_avtz_S0min_sa3_1E1u_triplet.inp
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data Martial
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2022-03-16 12:56:46 +01:00 |
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benzene_cas9pt3_avtz_S0min_sa3_1E1u_triplet.out
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data Martial
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2022-03-16 12:56:46 +01:00 |
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benzene_cas9pt3_avtz_S0min_sa4_1B1u.inp
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data Martial
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2022-03-16 12:56:46 +01:00 |
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benzene_cas9pt3_avtz_S0min_sa4_1B1u.out
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data Martial
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2022-03-16 12:56:46 +01:00 |
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butadiene_cas8pt3_avtz_S0min_sa3_2Bu.inp
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data Martial
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2022-03-16 12:56:46 +01:00 |
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butadiene_cas8pt3_avtz_S0min_sa3_2Bu.out
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data Martial
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2022-03-16 12:56:46 +01:00 |
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butadiene_cas10pt3_avtz_S0min_sa2_1Ag_triplet.inp
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data Martial
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2022-03-16 12:56:46 +01:00 |
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butadiene_cas10pt3_avtz_S0min_sa2_1Ag_triplet.out
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data Martial
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2022-03-16 12:56:46 +01:00 |
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butadiene_cas10pt3_avtz_S0min_sa2_1Bu_triplet.inp
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data Martial
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2022-03-16 12:56:46 +01:00 |
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butadiene_cas10pt3_avtz_S0min_sa2_1Bu_triplet.out
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data Martial
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2022-03-16 12:56:46 +01:00 |
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butadiene_cas10pt3_avtz_S0min_sa2_2Ag_ls04.inp
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data Martial
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2022-03-16 12:56:46 +01:00 |
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butadiene_cas10pt3_avtz_S0min_sa2_2Ag_ls04.out
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data Martial
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2022-03-16 12:56:46 +01:00 |
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butadiene_cas10pt3_avtz_S0min_sa2_2Ag.inp
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data Martial
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2022-03-16 12:56:46 +01:00 |
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butadiene_cas10pt3_avtz_S0min_sa2_2Ag.out
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data Martial
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2022-03-16 12:56:46 +01:00 |
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butadiene_cas11pt3_avtz_S0min_sa2_1Bg_triplet.inp
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data Martial
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2022-03-16 12:56:46 +01:00 |
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butadiene_cas11pt3_avtz_S0min_sa2_1Bg_triplet.out
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data Martial
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2022-03-16 12:56:46 +01:00 |
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butadiene_cas11pt3_avtz_S0min_sa2_1Bg.inp
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data Martial
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2022-03-16 12:56:46 +01:00 |
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butadiene_cas11pt3_avtz_S0min_sa2_1Bg.out
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data Martial
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2022-03-16 12:56:46 +01:00 |
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butadiene_cas12pt3_avtz_S0min_sa3_2Au.inp
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data Martial
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2022-03-16 12:56:46 +01:00 |
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butadiene_cas12pt3_avtz_S0min_sa3_2Au.out
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data Martial
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2022-03-16 12:56:46 +01:00 |
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c2n2_cas8pt3_avtz_S0min_3sigma.inp
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data Martial
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2022-03-16 12:56:46 +01:00 |
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c2n2_cas8pt3_avtz_S0min_3sigma.out
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data Martial
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2022-03-16 12:56:46 +01:00 |
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c2n2_cas8pt3_avtz_S0min_delta.inp
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data Martial
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2022-03-16 12:56:46 +01:00 |
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c2n2_cas8pt3_avtz_S0min_delta.out
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data Martial
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2022-03-16 12:56:46 +01:00 |
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c2n2_cas8pt3_avtz_S0min_sigma.inp
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data Martial
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2022-03-16 12:56:46 +01:00 |
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c2n2_cas8pt3_avtz_S0min_sigma.out
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data Martial
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2022-03-16 12:56:46 +01:00 |
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c2n2_cas8pt3_avtz_S1min_sigma.inp
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data Martial
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2022-03-16 12:56:46 +01:00 |
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c2n2_cas8pt3_avtz_S1min_sigma.out
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data Martial
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2022-03-16 12:56:46 +01:00 |
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c3_cas12pt3_avtz_S0min_sa2_sigma_ipea.inp
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data Martial
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2022-03-16 12:56:46 +01:00 |
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c3_cas12pt3_avtz_S0min_sa2_sigma_ipea.out
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data Martial
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2022-03-16 12:56:46 +01:00 |
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c3_cas12pt3_avtz_S0min_sa2_sigma_noipea_ls05.inp
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data Martial
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2022-03-16 12:56:46 +01:00 |
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c3_cas12pt3_avtz_S0min_sa2_sigma_noipea_ls05.out
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data Martial
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2022-03-16 12:56:46 +01:00 |
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c3_cas12pt3_avtz_S0min_sa3_delta_ipea.inp
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data Martial
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2022-03-16 12:56:46 +01:00 |
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c3_cas12pt3_avtz_S0min_sa3_delta_ipea.out
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data Martial
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2022-03-16 12:56:46 +01:00 |
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c3_cas12pt3_avtz_S0min_sa3_delta_noipea_ls04.inp
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data Martial
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2022-03-16 12:56:46 +01:00 |
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c3_cas12pt3_avtz_S0min_sa3_delta_noipea_ls04.out
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data Martial
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2022-03-16 12:56:46 +01:00 |
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c3nh_cas8pt3_avtz_S0min_3delta.inp
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data Martial
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2022-03-16 12:56:46 +01:00 |
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c3nh_cas8pt3_avtz_S0min_3delta.out
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data Martial
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2022-03-16 12:56:46 +01:00 |
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c3nh_cas8pt3_avtz_S0min_3sigma.inp
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data Martial
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2022-03-16 12:56:46 +01:00 |
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c3nh_cas8pt3_avtz_S0min_3sigma.out
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data Martial
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2022-03-16 12:56:46 +01:00 |
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c3nh_cas8pt3_avtz_S0min_delta.inp
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data Martial
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2022-03-16 12:56:46 +01:00 |
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c3nh_cas8pt3_avtz_S0min_delta.out
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data Martial
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2022-03-16 12:56:46 +01:00 |
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c3nh_cas8pt3_avtz_S0min_sigma.inp
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data Martial
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2022-03-16 12:56:46 +01:00 |
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c3nh_cas8pt3_avtz_S0min_sigma.out
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data Martial
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2022-03-16 12:56:46 +01:00 |
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c3nh_cas8pt3_avtz_S1min_sa2_As.inp
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data Martial
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2022-03-16 12:56:46 +01:00 |
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c3nh_cas8pt3_avtz_S1min_sa2_As.out
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data Martial
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2022-03-16 12:56:46 +01:00 |
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c4h2_cas8pt3_avtz_S0min_3delta.inp
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data Martial
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2022-03-16 12:56:46 +01:00 |
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c4h2_cas8pt3_avtz_S0min_3delta.out
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data Martial
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2022-03-16 12:56:46 +01:00 |
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c4h2_cas8pt3_avtz_S0min_3sigma.inp
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data Martial
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2022-03-16 12:56:46 +01:00 |
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c4h2_cas8pt3_avtz_S0min_3sigma.out
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data Martial
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2022-03-16 12:56:46 +01:00 |
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c4h2_cas8pt3_avtz_S0min_delta.inp
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data Martial
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2022-03-16 12:56:46 +01:00 |
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c4h2_cas8pt3_avtz_S0min_delta.out
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c4h2_cas8pt3_avtz_S0min_sigma.inp
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data Martial
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2022-03-16 12:56:46 +01:00 |
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c4h2_cas8pt3_avtz_S0min_sigma.out
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data Martial
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2022-03-16 12:56:46 +01:00 |
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cyanoformaldehyde_cas6pt3_avtz_S0min_sa2_1Ap_triplet.inp
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data Martial
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2022-03-16 12:56:46 +01:00 |
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cyanoformaldehyde_cas6pt3_avtz_S0min_sa2_1Ap_triplet.out
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data Martial
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2022-03-16 12:56:46 +01:00 |
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cyanoformaldehyde_cas7pt3_avtz_S0min_sa2_1As_triplet.inp
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data Martial
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2022-03-16 12:56:46 +01:00 |
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cyanoformaldehyde_cas7pt3_avtz_S0min_sa2_1As_triplet.out
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data Martial
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2022-03-16 12:56:46 +01:00 |
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cyanoformaldehyde_cas7pt3_avtz_S0min_sa3_2As.inp
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data Martial
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2022-03-16 12:56:46 +01:00 |
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cyanoformaldehyde_cas7pt3_avtz_S0min_sa3_2As.out
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data Martial
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2022-03-16 12:56:46 +01:00 |
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cyclopentadiene_cas4pt3_avtz_S0min_sa2_1B2_triplet.inp
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data Martial
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2022-03-16 12:56:46 +01:00 |
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cyclopentadiene_cas4pt3_avtz_S0min_sa2_1B2_triplet.out
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2022-03-16 12:56:46 +01:00 |
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cyclopentadiene_cas4pt3_avtz_S0min_sa3_2A1_triplet.inp
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data Martial
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2022-03-16 12:56:46 +01:00 |
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cyclopentadiene_cas4pt3_avtz_S0min_sa3_2A1_triplet.out
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data Martial
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cyclopentadiene_cas4pt3_avtz_S0min_sa3_3A1.inp
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data Martial
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2022-03-16 12:56:46 +01:00 |
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cyclopentadiene_cas4pt3_avtz_S0min_sa3_3A1.out
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data Martial
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cyclopentadiene_cas5pt3_avtz_S0min_sa2_1A2_triplet.inp
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data Martial
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2022-03-16 12:56:46 +01:00 |
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cyclopentadiene_cas5pt3_avtz_S0min_sa2_1A2_triplet.out
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cyclopentadiene_cas5pt3_avtz_S0min_sa2_1B1_triplet.inp
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data Martial
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2022-03-16 12:56:46 +01:00 |
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cyclopentadiene_cas5pt3_avtz_S0min_sa2_1B1_triplet.out
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cyclopentadiene_cas5pt3_avtz_S0min_sa2_1B1.inp
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2022-03-16 12:56:46 +01:00 |
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cyclopentadiene_cas5pt3_avtz_S0min_sa2_1B1.out
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cyclopentadiene_cas6pt3_avtz_S0min_sa3_2A2.inp
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data Martial
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2022-03-16 12:56:46 +01:00 |
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cyclopentadiene_cas6pt3_avtz_S0min_sa3_2A2.out
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cyclopentadiene_cas6pt3_avtz_S0min_sa3_2B2.inp
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data Martial
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2022-03-16 12:56:46 +01:00 |
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cyclopentadiene_cas6pt3_avtz_S0min_sa3_2B2.out
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data Martial
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2022-03-16 12:56:46 +01:00 |
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cyclopropene_cas8pt3_avtz_S0min_sa2_1B1.inp
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data Martial
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2022-03-16 12:56:46 +01:00 |
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cyclopropene_cas8pt3_avtz_S0min_sa2_1B1.out
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cyclopropene_cas8pt3_avtz_S0min_sa2_1B2.inp
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2022-03-16 12:56:46 +01:00 |
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cyclopropene_cas8pt3_avtz_S0min_sa2_1B2.out
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cyclopropene_cas8pt3_avtz_S0min_sa2_3B1.inp
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2022-03-16 12:56:46 +01:00 |
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cyclopropene_cas8pt3_avtz_S0min_sa2_3B1.out
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cyclopropene_cas8pt3_avtz_S0min_sa2_3B2.inp
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2022-03-16 12:56:46 +01:00 |
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cyclopropene_cas8pt3_avtz_S0min_sa2_3B2.out
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cyclopropenone_cas7pt3_avtz_S0min_sa4_3A1_triplet.inp
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data Martial
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2022-03-16 12:56:46 +01:00 |
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cyclopropenone_cas7pt3_avtz_S0min_sa4_3A1_triplet.out
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cyclopropenone_cas7pt3_avtz_S0min_sa4_3A2_triplet.inp
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data Martial
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2022-03-16 12:56:46 +01:00 |
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cyclopropenone_cas7pt3_avtz_S0min_sa4_3A2_triplet.out
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cyclopropenone_cas7pt3_avtz_S0min_sa4_3A2.inp
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2022-03-16 12:56:46 +01:00 |
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cyclopropenone_cas7pt3_avtz_S0min_sa4_3A2.out
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cyclopropenone_cas7pt3_avtz_S0min_sa4_3B1_triplet.inp
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2022-03-16 12:56:46 +01:00 |
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cyclopropenone_cas7pt3_avtz_S0min_sa4_3B1_triplet.out
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cyclopropenone_cas7pt3_avtz_S0min_sa4_3B1.inp
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2022-03-16 12:56:46 +01:00 |
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cyclopropenone_cas7pt3_avtz_S0min_sa4_3B1.out
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2022-03-16 12:56:46 +01:00 |
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cyclopropenone_cas7pt3_avtz_S0min_sa4_3B2_triplet.inp
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2022-03-16 12:56:46 +01:00 |
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cyclopropenone_cas7pt3_avtz_S0min_sa4_3B2_triplet.out
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cyclopropenone_cas7pt3_avtz_S0min_sa4_3B2.inp
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cyclopropenone_cas7pt3_avtz_S0min_sa4_3B2.out
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cyclopropenone_cas7pt3_avtz_S0min_sa4_4A1.inp
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cyclopropenone_cas7pt3_avtz_S0min_sa4_4A1.out
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cyclopropenone_cas8pt3_avtz_S0min_sa5_5A1_new.inp
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cyclopropenone_cas8pt3_avtz_S0min_sa5_5A1_new.out
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cyclopropenone_cas8pt3_avtz_S0min_sa5_5A1.inp
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data Martial
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2022-03-16 12:56:46 +01:00 |
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cyclopropenone_cas8pt3_avtz_S0min_sa5_5A1.out
|
data Martial
|
2022-03-16 12:56:46 +01:00 |
|
diazomethane_cas9pt3_avtz_S0min_sa2_1A1_triplet.inp
|
data Martial
|
2022-03-16 12:56:46 +01:00 |
|
diazomethane_cas9pt3_avtz_S0min_sa2_1A1_triplet.out
|
data Martial
|
2022-03-16 12:56:46 +01:00 |
|
diazomethane_cas9pt3_avtz_S0min_sa2_1A2_triplet.inp
|
data Martial
|
2022-03-16 12:56:46 +01:00 |
|
diazomethane_cas9pt3_avtz_S0min_sa2_1A2_triplet.out
|
data Martial
|
2022-03-16 12:56:46 +01:00 |
|
diazomethane_cas9pt3_avtz_S0min_sa2_1A2.inp
|
data Martial
|
2022-03-16 12:56:46 +01:00 |
|
diazomethane_cas9pt3_avtz_S0min_sa2_1A2.out
|
data Martial
|
2022-03-16 12:56:46 +01:00 |
|
diazomethane_cas9pt3_avtz_S1min_sa2_1As.inp
|
data Martial
|
2022-03-16 12:56:46 +01:00 |
|
diazomethane_cas9pt3_avtz_S1min_sa2_1As.out
|
data Martial
|
2022-03-16 12:56:46 +01:00 |
|
diazomethane_cas10pt3_avtz_S0min_sa2_1B1_triplet.inp
|
data Martial
|
2022-03-16 12:56:46 +01:00 |
|
diazomethane_cas10pt3_avtz_S0min_sa2_1B1_triplet.out
|
data Martial
|
2022-03-16 12:56:46 +01:00 |
|
diazomethane_cas10pt3_avtz_S0min_sa2_1B1.inp
|
data Martial
|
2022-03-16 12:56:46 +01:00 |
|
diazomethane_cas10pt3_avtz_S0min_sa2_1B1.out
|
data Martial
|
2022-03-16 12:56:46 +01:00 |
|
diazomethane_cas10pt3_avtz_S0min_sa3_2A1_triplet.inp
|
data Martial
|
2022-03-16 12:56:46 +01:00 |
|
diazomethane_cas10pt3_avtz_S0min_sa3_2A1_triplet.out
|
data Martial
|
2022-03-16 12:56:46 +01:00 |
|
diazomethane_cas10pt3_avtz_S0min_sa3_3A1.inp
|
data Martial
|
2022-03-16 12:56:46 +01:00 |
|
diazomethane_cas10pt3_avtz_S0min_sa3_3A1.out
|
data Martial
|
2022-03-16 12:56:46 +01:00 |
|
formamide_cas7pt3_avtz_S0min_sa2_1Ap_triplet.inp
|
data Martial
|
2022-03-16 12:56:46 +01:00 |
|
formamide_cas7pt3_avtz_S0min_sa2_1Ap_triplet.out
|
data Martial
|
2022-03-16 12:56:46 +01:00 |
|
formamide_cas8pt3_avtz_S0min_sa2_1As_triplet.inp
|
data Martial
|
2022-03-16 12:56:46 +01:00 |
|
formamide_cas8pt3_avtz_S0min_sa2_1As_triplet.out
|
data Martial
|
2022-03-16 12:56:46 +01:00 |
|
formamide_cas8pt3_avtz_S0min_sa2_1As.inp
|
data Martial
|
2022-03-16 12:56:46 +01:00 |
|
formamide_cas8pt3_avtz_S0min_sa2_1As.out
|
data Martial
|
2022-03-16 12:56:46 +01:00 |
|
formamide_cas10pt3_avtz_S0min_sa4_4Ap.inp
|
data Martial
|
2022-03-16 12:56:46 +01:00 |
|
formamide_cas10pt3_avtz_S0min_sa4_4Ap.out
|
data Martial
|
2022-03-16 12:56:46 +01:00 |
|
furan_cas5pt3_avtz_S0min_sa2_1B2_triplet.inp
|
data Martial
|
2022-03-16 12:56:46 +01:00 |
|
furan_cas5pt3_avtz_S0min_sa2_1B2_triplet.out
|
data Martial
|
2022-03-16 12:56:46 +01:00 |
|
furan_cas5pt3_avtz_S0min_sa3_2A1_triplet.inp
|
data Martial
|
2022-03-16 12:56:46 +01:00 |
|
furan_cas5pt3_avtz_S0min_sa3_2A1_triplet.out
|
data Martial
|
2022-03-16 12:56:46 +01:00 |
|
furan_cas5pt3_avtz_S0min_sa3_3A1.inp
|
data Martial
|
2022-03-16 12:56:46 +01:00 |
|
furan_cas5pt3_avtz_S0min_sa3_3A1.out
|
data Martial
|
2022-03-16 12:56:46 +01:00 |
|
furan_cas6pt3_avtz_S0min_sa2_1A2_triplet.inp
|
data Martial
|
2022-03-16 12:56:46 +01:00 |
|
furan_cas6pt3_avtz_S0min_sa2_1A2_triplet.out
|
data Martial
|
2022-03-16 12:56:46 +01:00 |
|
furan_cas6pt3_avtz_S0min_sa2_1B1_triplet.inp
|
data Martial
|
2022-03-16 12:56:46 +01:00 |
|
furan_cas6pt3_avtz_S0min_sa2_1B1_triplet.out
|
data Martial
|
2022-03-16 12:56:46 +01:00 |
|
furan_cas6pt3_avtz_S0min_sa2_1B1.inp
|
data Martial
|
2022-03-16 12:56:46 +01:00 |
|
furan_cas6pt3_avtz_S0min_sa2_1B1.out
|
data Martial
|
2022-03-16 12:56:46 +01:00 |
|
furan_cas6pt3_avtz_S0min_sa3_2B2.inp
|
data Martial
|
2022-03-16 12:56:46 +01:00 |
|
furan_cas6pt3_avtz_S0min_sa3_2B2.out
|
data Martial
|
2022-03-16 12:56:46 +01:00 |
|
furan_cas7pt3_avtz_S0min_sa3_2A2.inp
|
data Martial
|
2022-03-16 12:56:46 +01:00 |
|
furan_cas7pt3_avtz_S0min_sa3_2A2.out
|
data Martial
|
2022-03-16 12:56:46 +01:00 |
|
glyoxal_cas12pt3_avtz_S0min_sa2_1Ag_triplet.inp
|
data Martial
|
2022-03-16 12:56:46 +01:00 |
|
glyoxal_cas12pt3_avtz_S0min_sa2_1Ag_triplet.out
|
data Martial
|
2022-03-16 12:56:46 +01:00 |
|
glyoxal_cas12pt3_avtz_S0min_sa2_1Au_triplet.inp
|
data Martial
|
2022-03-16 12:56:46 +01:00 |
|
glyoxal_cas12pt3_avtz_S0min_sa2_1Au_triplet.out
|
data Martial
|
2022-03-16 12:56:46 +01:00 |
|
glyoxal_cas12pt3_avtz_S0min_sa2_1Au.inp
|
data Martial
|
2022-03-16 12:56:46 +01:00 |
|
glyoxal_cas12pt3_avtz_S0min_sa2_1Au.out
|
data Martial
|
2022-03-16 12:56:46 +01:00 |
|
glyoxal_cas12pt3_avtz_S0min_sa2_1Bg_triplet.inp
|
data Martial
|
2022-03-16 12:56:46 +01:00 |
|
glyoxal_cas12pt3_avtz_S0min_sa2_1Bg_triplet.out
|
data Martial
|
2022-03-16 12:56:46 +01:00 |
|
glyoxal_cas12pt3_avtz_S0min_sa2_1Bu_triplet.inp
|
data Martial
|
2022-03-16 12:56:46 +01:00 |
|
glyoxal_cas12pt3_avtz_S0min_sa2_1Bu_triplet.out
|
data Martial
|
2022-03-16 12:56:46 +01:00 |
|
glyoxal_cas12pt3_avtz_S0min_sa2_2Ag.inp
|
data Martial
|
2022-03-16 12:56:46 +01:00 |
|
glyoxal_cas12pt3_avtz_S0min_sa2_2Ag.out
|
data Martial
|
2022-03-16 12:56:46 +01:00 |
|
glyoxal_cas13pt3_avtz_S0min_sa2_1Bu.inp
|
data Martial
|
2022-03-16 12:56:46 +01:00 |
|
glyoxal_cas13pt3_avtz_S0min_sa2_1Bu.out
|
data Martial
|
2022-03-16 12:56:46 +01:00 |
|
glyoxal_cas13pt3_avtz_S0min_sa3_2Bg_ipea.inp
|
data Martial
|
2022-03-16 12:56:46 +01:00 |
|
glyoxal_cas13pt3_avtz_S0min_sa3_2Bg_ipea.out
|
data Martial
|
2022-03-16 12:56:46 +01:00 |
|
glyoxal_cas13pt3_avtz_S0min_sa3_2Bg_noipea_ls04.inp
|
data Martial
|
2022-03-16 12:56:46 +01:00 |
|
glyoxal_cas13pt3_avtz_S0min_sa3_2Bg_noipea_ls04.out
|
data Martial
|
2022-03-16 12:56:46 +01:00 |
|
glyoxal_cas13pt3_avtz_S0min_sa3_2Bg.inp
|
data Martial
|
2022-03-16 12:56:46 +01:00 |
|
glyoxal_cas13pt3_avtz_S0min_sa3_2Bg.out
|
data Martial
|
2022-03-16 12:56:46 +01:00 |
|
imidazole_cas7pt3_avtz_S0min_sa2_2Ap.inp
|
data Martial
|
2022-03-16 12:56:46 +01:00 |
|
imidazole_cas7pt3_avtz_S0min_sa2_2Ap.out
|
data Martial
|
2022-03-16 12:56:46 +01:00 |
|
imidazole_cas7pt3_avtz_S0min_sa4_3As_triplet.inp
|
data Martial
|
2022-03-16 12:56:46 +01:00 |
|
imidazole_cas7pt3_avtz_S0min_sa4_3As_triplet.out
|
data Martial
|
2022-03-16 12:56:46 +01:00 |
|
imidazole_cas7pt3_avtz_S0min_sa4_3As.inp
|
data Martial
|
2022-03-16 12:56:46 +01:00 |
|
imidazole_cas7pt3_avtz_S0min_sa4_3As.out
|
data Martial
|
2022-03-16 12:56:46 +01:00 |
|
imidazole_cas9pt3_avtz_S0min_sa3_2Ap_triplet.inp
|
data Martial
|
2022-03-16 12:56:46 +01:00 |
|
imidazole_cas9pt3_avtz_S0min_sa3_2Ap_triplet.out
|
data Martial
|
2022-03-16 12:56:46 +01:00 |
|
imidazole_cas9pt3_avtz_S0min_sa3_3Ap.inp
|
data Martial
|
2022-03-16 12:56:46 +01:00 |
|
imidazole_cas9pt3_avtz_S0min_sa3_3Ap.out
|
data Martial
|
2022-03-16 12:56:46 +01:00 |
|
imidazole_cas10pt3_avtz_S0min_sa8_7As.inp
|
data Martial
|
2022-03-16 12:56:46 +01:00 |
|
imidazole_cas10pt3_avtz_S0min_sa8_7As.out
|
data Martial
|
2022-03-16 12:56:46 +01:00 |
|
isobutene_cas4pt3_avtz_S0min_sa2_1A1_triplet.inp
|
data Martial
|
2022-03-16 12:56:46 +01:00 |
|
isobutene_cas4pt3_avtz_S0min_sa2_1A1_triplet.out
|
data Martial
|
2022-03-16 12:56:46 +01:00 |
|
isobutene_cas5pt3_avtz_S0min_sa2_1B1.inp
|
data Martial
|
2022-03-16 12:56:46 +01:00 |
|
isobutene_cas5pt3_avtz_S0min_sa2_1B1.out
|
data Martial
|
2022-03-16 12:56:46 +01:00 |
|
isobutene_cas5pt3_avtz_S0min_sa2_2A1.inp
|
data Martial
|
2022-03-16 12:56:46 +01:00 |
|
isobutene_cas5pt3_avtz_S0min_sa2_2A1.out
|
data Martial
|
2022-03-16 12:56:46 +01:00 |
|
ketene_cas9pt3_avtz_S0min_sa2_1A1_triplet.inp
|
data Martial
|
2022-03-16 12:56:46 +01:00 |
|
ketene_cas9pt3_avtz_S0min_sa2_1A1_triplet.out
|
data Martial
|
2022-03-16 12:56:46 +01:00 |
|
ketene_cas9pt3_avtz_S0min_sa2_1A2_triplet.inp
|
data Martial
|
2022-03-16 12:56:46 +01:00 |
|
ketene_cas9pt3_avtz_S0min_sa2_1A2_triplet.out
|
data Martial
|
2022-03-16 12:56:46 +01:00 |
|
ketene_cas9pt3_avtz_S0min_sa2_1A2.inp
|
data Martial
|
2022-03-16 12:56:46 +01:00 |
|
ketene_cas9pt3_avtz_S0min_sa2_1A2.out
|
data Martial
|
2022-03-16 12:56:46 +01:00 |
|
ketene_cas9pt3_avtz_S1min_sa2_1As.inp
|
data Martial
|
2022-03-16 12:56:46 +01:00 |
|
ketene_cas9pt3_avtz_S1min_sa2_1As.out
|
data Martial
|
2022-03-16 12:56:46 +01:00 |
|
ketene_cas10pt3_avtz_S0min_sa2_1B1_triplet.inp
|
data Martial
|
2022-03-16 12:56:46 +01:00 |
|
ketene_cas10pt3_avtz_S0min_sa2_1B1_triplet.out
|
data Martial
|
2022-03-16 12:56:46 +01:00 |
|
ketene_cas10pt3_avtz_S0min_sa2_1B1.inp
|
data Martial
|
2022-03-16 12:56:46 +01:00 |
|
ketene_cas10pt3_avtz_S0min_sa2_1B1.out
|
data Martial
|
2022-03-16 12:56:46 +01:00 |
|
ketene_cas10pt3_avtz_S0min_sa3_2A2_triplet.inp
|
data Martial
|
2022-03-16 12:56:46 +01:00 |
|
ketene_cas10pt3_avtz_S0min_sa3_2A2_triplet.out
|
data Martial
|
2022-03-16 12:56:46 +01:00 |
|
ketene_cas10pt3_avtz_S0min_sa3_2A2.inp
|
data Martial
|
2022-03-16 12:56:46 +01:00 |
|
ketene_cas10pt3_avtz_S0min_sa3_2A2.out
|
data Martial
|
2022-03-16 12:56:46 +01:00 |
|
methylenecyclopropene_cas4pt3_avtz_S0min_sa2_1B2_triplet.inp
|
data Martial
|
2022-03-16 12:56:46 +01:00 |
|
methylenecyclopropene_cas4pt3_avtz_S0min_sa2_1B2_triplet.out
|
data Martial
|
2022-03-16 12:56:46 +01:00 |
|
methylenecyclopropene_cas4pt3_avtz_S0min_sa2_1B2.inp
|
data Martial
|
2022-03-16 12:56:46 +01:00 |
|
methylenecyclopropene_cas4pt3_avtz_S0min_sa2_1B2.out
|
data Martial
|
2022-03-16 12:56:46 +01:00 |
|
methylenecyclopropene_cas5pt3_avtz_S0min_sa2_1A2.inp
|
data Martial
|
2022-03-16 12:56:46 +01:00 |
|
methylenecyclopropene_cas5pt3_avtz_S0min_sa2_1A2.out
|
data Martial
|
2022-03-16 12:56:46 +01:00 |
|
methylenecyclopropene_cas5pt3_avtz_S0min_sa2_1B1.inp
|
data Martial
|
2022-03-16 12:56:46 +01:00 |
|
methylenecyclopropene_cas5pt3_avtz_S0min_sa2_1B1.out
|
data Martial
|
2022-03-16 12:56:46 +01:00 |
|
methylenecyclopropene_cas6pt3_avtz_S0min_sa4_3A1_triplet.inp
|
data Martial
|
2022-03-16 12:56:46 +01:00 |
|
methylenecyclopropene_cas6pt3_avtz_S0min_sa4_3A1_triplet.out
|
data Martial
|
2022-03-16 12:56:46 +01:00 |
|
methylenecyclopropene_cas7pt3_avtz_S0min_sa5_5A1.inp
|
data Martial
|
2022-03-16 12:56:46 +01:00 |
|
methylenecyclopropene_cas7pt3_avtz_S0min_sa5_5A1.out
|
data Martial
|
2022-03-16 12:56:46 +01:00 |
|
nitrosomethane_cas4pt3_avtz_S0min_sa2_1Ap_triplet.inp
|
data Martial
|
2022-03-16 12:56:46 +01:00 |
|
nitrosomethane_cas4pt3_avtz_S0min_sa2_1Ap_triplet.out
|
data Martial
|
2022-03-16 12:56:46 +01:00 |
|
nitrosomethane_cas6pt3_avtz_S0min_sa2_1As_triplet.inp
|
data Martial
|
2022-03-16 12:56:46 +01:00 |
|
nitrosomethane_cas6pt3_avtz_S0min_sa2_1As_triplet.out
|
data Martial
|
2022-03-16 12:56:46 +01:00 |
|
nitrosomethane_cas6pt3_avtz_S0min_sa2_1As.inp
|
data Martial
|
2022-03-16 12:56:46 +01:00 |
|
nitrosomethane_cas6pt3_avtz_S0min_sa2_1As.out
|
data Martial
|
2022-03-16 12:56:46 +01:00 |
|
nitrosomethane_cas6pt3_avtz_S0min_sa2_2Ap.inp
|
data Martial
|
2022-03-16 12:56:46 +01:00 |
|
nitrosomethane_cas6pt3_avtz_S0min_sa2_2Ap.out
|
data Martial
|
2022-03-16 12:56:46 +01:00 |
|
nitrosomethane_cas6pt3_avtz_S1min_sa2_1As.inp
|
data Martial
|
2022-03-16 12:56:46 +01:00 |
|
nitrosomethane_cas6pt3_avtz_S1min_sa2_1As.out
|
data Martial
|
2022-03-16 12:56:46 +01:00 |
|
nitrosomethane_cas7pt3_avtz_S0min_sa3_3Ap.inp
|
data Martial
|
2022-03-16 12:56:46 +01:00 |
|
nitrosomethane_cas7pt3_avtz_S0min_sa3_3Ap.out
|
data Martial
|
2022-03-16 12:56:46 +01:00 |
|
propynal_cas6pt3_avtz_S0min_sa2_1Ap_triplet.inp
|
data Martial
|
2022-03-16 12:56:46 +01:00 |
|
propynal_cas6pt3_avtz_S0min_sa2_1Ap_triplet.out
|
data Martial
|
2022-03-16 12:56:46 +01:00 |
|
propynal_cas7pt3_avtz_S0min_sa2_1As_triplet.inp
|
data Martial
|
2022-03-16 12:56:46 +01:00 |
|
propynal_cas7pt3_avtz_S0min_sa2_1As_triplet.out
|
data Martial
|
2022-03-16 12:56:46 +01:00 |
|
propynal_cas7pt3_avtz_S0min_sa3_2As.inp
|
data Martial
|
2022-03-16 12:56:46 +01:00 |
|
propynal_cas7pt3_avtz_S0min_sa3_2As.out
|
data Martial
|
2022-03-16 12:56:46 +01:00 |
|
pyrazine_cas6pt3_avtz_S0min_sa2_B2u_triplet.inp
|
data Martial
|
2022-03-16 12:56:46 +01:00 |
|
pyrazine_cas6pt3_avtz_S0min_sa2_B2u_triplet.out
|
data Martial
|
2022-03-16 12:56:46 +01:00 |
|
pyrazine_cas6pt3_avtz_S0min_sa2_B2u.inp
|
data Martial
|
2022-03-16 12:56:46 +01:00 |
|
pyrazine_cas6pt3_avtz_S0min_sa2_B2u.out
|
data Martial
|
2022-03-16 12:56:46 +01:00 |
|
pyrazine_cas7pt3_avtz_S0min_sa2_2B1g.inp
|
data Martial
|
2022-03-16 12:56:46 +01:00 |
|
pyrazine_cas7pt3_avtz_S0min_sa2_2B1g.out
|
data Martial
|
2022-03-16 12:56:46 +01:00 |
|
pyrazine_cas8pt3_avtz_S0min_sa2_Au_triplet.inp
|
data Martial
|
2022-03-16 12:56:46 +01:00 |
|
pyrazine_cas8pt3_avtz_S0min_sa2_Au_triplet.out
|
data Martial
|
2022-03-16 12:56:46 +01:00 |
|
pyrazine_cas8pt3_avtz_S0min_sa2_Au.inp
|
data Martial
|
2022-03-16 12:56:46 +01:00 |
|
pyrazine_cas8pt3_avtz_S0min_sa2_Au.out
|
data Martial
|
2022-03-16 12:56:46 +01:00 |
|
pyrazine_cas8pt3_avtz_S0min_sa2_B1g.inp
|
data Martial
|
2022-03-16 12:56:46 +01:00 |
|
pyrazine_cas8pt3_avtz_S0min_sa2_B1g.out
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data Martial
|
2022-03-16 12:56:46 +01:00 |
|
pyrazine_cas8pt3_avtz_S0min_sa2_B2g_triplet.inp
|
data Martial
|
2022-03-16 12:56:46 +01:00 |
|
pyrazine_cas8pt3_avtz_S0min_sa2_B2g_triplet.out
|
data Martial
|
2022-03-16 12:56:46 +01:00 |
|
pyrazine_cas8pt3_avtz_S0min_sa2_B2g.inp
|
data Martial
|
2022-03-16 12:56:46 +01:00 |
|
pyrazine_cas8pt3_avtz_S0min_sa2_B2g.out
|
data Martial
|
2022-03-16 12:56:46 +01:00 |
|
pyrazine_cas8pt3_avtz_S0min_sa2_B3u_triplet.inp
|
data Martial
|
2022-03-16 12:56:46 +01:00 |
|
pyrazine_cas8pt3_avtz_S0min_sa2_B3u_triplet.out
|
data Martial
|
2022-03-16 12:56:46 +01:00 |
|
pyrazine_cas8pt3_avtz_S0min_sa2_B3u.inp
|
data Martial
|
2022-03-16 12:56:46 +01:00 |
|
pyrazine_cas8pt3_avtz_S0min_sa2_B3u.out
|
data Martial
|
2022-03-16 12:56:46 +01:00 |
|
pyrazine_cas9pt3_avtz_S0min_sa2_Ag.inp
|
data Martial
|
2022-03-16 12:56:46 +01:00 |
|
pyrazine_cas9pt3_avtz_S0min_sa2_Ag.out
|
data Martial
|
2022-03-16 12:56:46 +01:00 |
|
pyrazine_cas9pt3_avtz_S0min_sa3_2B1u_triplet.inp
|
data Martial
|
2022-03-16 12:56:46 +01:00 |
|
pyrazine_cas9pt3_avtz_S0min_sa3_2B1u_triplet.out
|
data Martial
|
2022-03-16 12:56:46 +01:00 |
|
pyrazine_cas9pt3_avtz_S0min_sa3_2B2u.inp
|
data Martial
|
2022-03-16 12:56:46 +01:00 |
|
pyrazine_cas9pt3_avtz_S0min_sa3_2B2u.out
|
data Martial
|
2022-03-16 12:56:46 +01:00 |
|
pyrazine_cas9pt3_avtz_S0min_sa4_3B1u_3px.inp
|
data Martial
|
2022-03-16 12:56:46 +01:00 |
|
pyrazine_cas9pt3_avtz_S0min_sa4_3B1u_3px.out
|
data Martial
|
2022-03-16 12:56:46 +01:00 |
|
pyrazine_cas9pt3_avtz_S0min_sa4_3B1u.inp
|
data Martial
|
2022-03-16 12:56:46 +01:00 |
|
pyrazine_cas9pt3_avtz_S0min_sa4_3B1u.out
|
data Martial
|
2022-03-16 12:56:46 +01:00 |
|
pyridazine_cas6pt3_avtz_S0min_sa2_2A1.inp
|
data Martial
|
2022-03-16 12:56:46 +01:00 |
|
pyridazine_cas6pt3_avtz_S0min_sa2_2A1.out
|
data Martial
|
2022-03-16 12:56:46 +01:00 |
|
pyridazine_cas6pt3_avtz_S0min_sa2_A1_triplet.inp
|
data Martial
|
2022-03-16 12:56:46 +01:00 |
|
pyridazine_cas6pt3_avtz_S0min_sa2_A1_triplet.out
|
data Martial
|
2022-03-16 12:56:46 +01:00 |
|
pyridazine_cas6pt3_avtz_S0min_sa2_B2_triplet.inp
|
data Martial
|
2022-03-16 12:56:46 +01:00 |
|
pyridazine_cas6pt3_avtz_S0min_sa2_B2_triplet.out
|
data Martial
|
2022-03-16 12:56:46 +01:00 |
|
pyridazine_cas6pt3_avtz_S0min_sa3_3B2.inp
|
data Martial
|
2022-03-16 12:56:46 +01:00 |
|
pyridazine_cas6pt3_avtz_S0min_sa3_3B2.out
|
data Martial
|
2022-03-16 12:56:46 +01:00 |
|
pyridazine_cas8pt3_avtz_S0min_sa2_A2_triplet.inp
|
data Martial
|
2022-03-16 12:56:46 +01:00 |
|
pyridazine_cas8pt3_avtz_S0min_sa2_A2_triplet.out
|
data Martial
|
2022-03-16 12:56:46 +01:00 |
|
pyridazine_cas8pt3_avtz_S0min_sa2_A2.inp
|
data Martial
|
2022-03-16 12:56:46 +01:00 |
|
pyridazine_cas8pt3_avtz_S0min_sa2_A2.out
|
data Martial
|
2022-03-16 12:56:46 +01:00 |
|
pyridazine_cas8pt3_avtz_S0min_sa2_B1_triplet.inp
|
data Martial
|
2022-03-16 12:56:46 +01:00 |
|
pyridazine_cas8pt3_avtz_S0min_sa2_B1_triplet.out
|
data Martial
|
2022-03-16 12:56:46 +01:00 |
|
pyridazine_cas8pt3_avtz_S0min_sa2_B1.inp
|
data Martial
|
2022-03-16 12:56:46 +01:00 |
|
pyridazine_cas8pt3_avtz_S0min_sa2_B1.out
|
data Martial
|
2022-03-16 12:56:46 +01:00 |
|
pyridazine_cas8pt3_avtz_S0min_sa3_2A2.inp
|
data Martial
|
2022-03-16 12:56:46 +01:00 |
|
pyridazine_cas8pt3_avtz_S0min_sa3_2A2.out
|
data Martial
|
2022-03-16 12:56:46 +01:00 |
|
pyridazine_cas8pt3_avtz_S0min_sa3_2B1.inp
|
data Martial
|
2022-03-16 12:56:46 +01:00 |
|
pyridazine_cas8pt3_avtz_S0min_sa3_2B1.out
|
data Martial
|
2022-03-16 12:56:46 +01:00 |
|
pyridazine_cas9pt3_avtz_S0min_sa2_B2_triplet.inp
|
data Martial
|
2022-03-16 12:56:46 +01:00 |
|
pyridazine_cas9pt3_avtz_S0min_sa2_B2_triplet.out
|
data Martial
|
2022-03-16 12:56:46 +01:00 |
|
pyridazine_cas9pt3_avtz_S0min_sa2_B2.inp
|
data Martial
|
2022-03-16 12:56:46 +01:00 |
|
pyridazine_cas9pt3_avtz_S0min_sa2_B2.out
|
data Martial
|
2022-03-16 12:56:46 +01:00 |
|
pyridazine_cas9pt3_avtz_S0min_sa2_B2pipis.inp
|
data Martial
|
2022-03-16 12:56:46 +01:00 |
|
pyridazine_cas9pt3_avtz_S0min_sa2_B2pipis.out
|
data Martial
|
2022-03-16 12:56:46 +01:00 |
|
pyridine_cas6pt3_avtz_S0min_sa2_1A1_triplet.inp
|
data Martial
|
2022-03-16 12:56:46 +01:00 |
|
pyridine_cas6pt3_avtz_S0min_sa2_1A1_triplet.out
|
data Martial
|
2022-03-16 12:56:46 +01:00 |
|
pyridine_cas6pt3_avtz_S0min_sa2_2A1.inp
|
data Martial
|
2022-03-16 12:56:46 +01:00 |
|
pyridine_cas6pt3_avtz_S0min_sa2_2A1.out
|
data Martial
|
2022-03-16 12:56:46 +01:00 |
|
pyridine_cas6pt3_avtz_S0min_sa3_2A1_triplet.inp
|
data Martial
|
2022-03-16 12:56:46 +01:00 |
|
pyridine_cas6pt3_avtz_S0min_sa3_2A1_triplet.out
|
data Martial
|
2022-03-16 12:56:46 +01:00 |
|
pyridine_cas6pt3_avtz_S0min_sa4_4A1.inp
|
data Martial
|
2022-03-16 12:56:46 +01:00 |
|
pyridine_cas6pt3_avtz_S0min_sa4_4A1.out
|
data Martial
|
2022-03-16 12:56:46 +01:00 |
|
pyridine_cas7pt3_avtz_S0min_sa2_A2_triplet.inp
|
data Martial
|
2022-03-16 12:56:46 +01:00 |
|
pyridine_cas7pt3_avtz_S0min_sa2_A2_triplet.out
|
data Martial
|
2022-03-16 12:56:46 +01:00 |
|
pyridine_cas7pt3_avtz_S0min_sa2_B1_triplet.inp
|
data Martial
|
2022-03-16 12:56:46 +01:00 |
|
pyridine_cas7pt3_avtz_S0min_sa2_B1_triplet.out
|
data Martial
|
2022-03-16 12:56:46 +01:00 |
|
pyridine_cas8pt3_avtz_S0min_sa2_2A1.inp
|
data Martial
|
2022-03-16 12:56:46 +01:00 |
|
pyridine_cas8pt3_avtz_S0min_sa2_2A1.out
|
data Martial
|
2022-03-16 12:56:46 +01:00 |
|
pyridine_cas8pt3_avtz_S0min_sa3_2A2.inp
|
data Martial
|
2022-03-16 12:56:46 +01:00 |
|
pyridine_cas8pt3_avtz_S0min_sa3_2A2.out
|
data Martial
|
2022-03-16 12:56:46 +01:00 |
|
pyridine_cas8pt3_avtz_S0min_sa3_2B1.inp
|
data Martial
|
2022-03-16 12:56:46 +01:00 |
|
pyridine_cas8pt3_avtz_S0min_sa3_2B1.out
|
data Martial
|
2022-03-16 12:56:46 +01:00 |
|
pyridine_cas10pt3_avtz_S0min_sa3_2B2_triplet.inp
|
data Martial
|
2022-03-16 12:56:46 +01:00 |
|
pyridine_cas10pt3_avtz_S0min_sa3_2B2_triplet.out
|
data Martial
|
2022-03-16 12:56:46 +01:00 |
|
pyridine_cas10pt3_avtz_S0min_sa3_2B2.inp
|
data Martial
|
2022-03-16 12:56:46 +01:00 |
|
pyridine_cas10pt3_avtz_S0min_sa3_2B2.out
|
data Martial
|
2022-03-16 12:56:46 +01:00 |
|
pyrimidine_cas6pt3_avtz_S0min_sa2_B2_triplet.inp
|
data Martial
|
2022-03-16 12:56:46 +01:00 |
|
pyrimidine_cas6pt3_avtz_S0min_sa2_B2_triplet.out
|
data Martial
|
2022-03-16 12:56:46 +01:00 |
|
pyrimidine_cas8pt3_avtz_S0min_sa2_A2_triplet.inp
|
data Martial
|
2022-03-16 12:56:46 +01:00 |
|
pyrimidine_cas8pt3_avtz_S0min_sa2_A2_triplet.out
|
data Martial
|
2022-03-16 12:56:46 +01:00 |
|
pyrimidine_cas8pt3_avtz_S0min_sa2_A2.inp
|
data Martial
|
2022-03-16 12:56:46 +01:00 |
|
pyrimidine_cas8pt3_avtz_S0min_sa2_A2.out
|
data Martial
|
2022-03-16 12:56:46 +01:00 |
|
pyrimidine_cas8pt3_avtz_S0min_sa2_B1_triplet.inp
|
data Martial
|
2022-03-16 12:56:46 +01:00 |
|
pyrimidine_cas8pt3_avtz_S0min_sa2_B1_triplet.out
|
data Martial
|
2022-03-16 12:56:46 +01:00 |
|
pyrimidine_cas8pt3_avtz_S0min_sa2_B1.inp
|
data Martial
|
2022-03-16 12:56:46 +01:00 |
|
pyrimidine_cas8pt3_avtz_S0min_sa2_B1.out
|
data Martial
|
2022-03-16 12:56:46 +01:00 |
|
pyrimidine_cas8pt3_avtz_S0min_sa3_2A2.inp
|
data Martial
|
2022-03-16 12:56:46 +01:00 |
|
pyrimidine_cas8pt3_avtz_S0min_sa3_2A2.out
|
data Martial
|
2022-03-16 12:56:46 +01:00 |
|
pyrimidine_cas8pt3_avtz_S0min_sa3_2B1.inp
|
data Martial
|
2022-03-16 12:56:46 +01:00 |
|
pyrimidine_cas8pt3_avtz_S0min_sa3_2B1.out
|
data Martial
|
2022-03-16 12:56:46 +01:00 |
|
pyrimidine_cas9pt3_avtz_S0min_sa2_1A1_triplet.inp
|
data Martial
|
2022-03-16 12:56:46 +01:00 |
|
pyrimidine_cas9pt3_avtz_S0min_sa2_1A1_triplet.out
|
data Martial
|
2022-03-16 12:56:46 +01:00 |
|
pyrimidine_cas9pt3_avtz_S0min_sa2_2A1.inp
|
data Martial
|
2022-03-16 12:56:46 +01:00 |
|
pyrimidine_cas9pt3_avtz_S0min_sa2_2A1.out
|
data Martial
|
2022-03-16 12:56:46 +01:00 |
|
pyrimidine_cas9pt3_avtz_S0min_sa2_B2.inp
|
data Martial
|
2022-03-16 12:56:46 +01:00 |
|
pyrimidine_cas9pt3_avtz_S0min_sa2_B2.out
|
data Martial
|
2022-03-16 12:56:46 +01:00 |
|
pyrimidine_cas9pt3_avtz_S0min_sa3_2B2.inp
|
data Martial
|
2022-03-16 12:56:46 +01:00 |
|
pyrimidine_cas9pt3_avtz_S0min_sa3_2B2.out
|
data Martial
|
2022-03-16 12:56:46 +01:00 |
|
pyrrole_cas5pt3_avtz_S0min_sa2_1B2_triplet.inp
|
data Martial
|
2022-03-16 12:56:46 +01:00 |
|
pyrrole_cas5pt3_avtz_S0min_sa2_1B2_triplet.out
|
data Martial
|
2022-03-16 12:56:46 +01:00 |
|
pyrrole_cas5pt3_avtz_S0min_sa3_2A1_triplet.inp
|
data Martial
|
2022-03-16 12:56:46 +01:00 |
|
pyrrole_cas5pt3_avtz_S0min_sa3_2A1_triplet.out
|
data Martial
|
2022-03-16 12:56:46 +01:00 |
|
pyrrole_cas5pt3_avtz_S0min_sa3_3A1.inp
|
data Martial
|
2022-03-16 12:56:46 +01:00 |
|
pyrrole_cas5pt3_avtz_S0min_sa3_3A1.out
|
data Martial
|
2022-03-16 12:56:46 +01:00 |
|
pyrrole_cas6pt3_avtz_S0min_sa2_1A2_triplet.inp
|
data Martial
|
2022-03-16 12:56:46 +01:00 |
|
pyrrole_cas6pt3_avtz_S0min_sa2_1A2_triplet.out
|
data Martial
|
2022-03-16 12:56:46 +01:00 |
|
pyrrole_cas6pt3_avtz_S0min_sa2_1A2.inp
|
data Martial
|
2022-03-16 12:56:46 +01:00 |
|
pyrrole_cas6pt3_avtz_S0min_sa2_1A2.out
|
data Martial
|
2022-03-16 12:56:46 +01:00 |
|
pyrrole_cas6pt3_avtz_S0min_sa2_1B1_triplet.inp
|
data Martial
|
2022-03-16 12:56:46 +01:00 |
|
pyrrole_cas6pt3_avtz_S0min_sa2_1B1_triplet.out
|
data Martial
|
2022-03-16 12:56:46 +01:00 |
|
pyrrole_cas6pt3_avtz_S0min_sa2_1B1.inp
|
data Martial
|
2022-03-16 12:56:46 +01:00 |
|
pyrrole_cas6pt3_avtz_S0min_sa2_1B1.out
|
data Martial
|
2022-03-16 12:56:46 +01:00 |
|
pyrrole_cas6pt3_avtz_S0min_sa3_2B2.inp
|
data Martial
|
2022-03-16 12:56:46 +01:00 |
|
pyrrole_cas6pt3_avtz_S0min_sa3_2B2.out
|
data Martial
|
2022-03-16 12:56:46 +01:00 |
|
pyrrole_cas7pt3_avtz_S0min_sa3_2A2.inp
|
data Martial
|
2022-03-16 12:56:46 +01:00 |
|
pyrrole_cas7pt3_avtz_S0min_sa3_2A2.out
|
data Martial
|
2022-03-16 12:56:46 +01:00 |
|
streptocyanine_cas7pt3_avtz_S0min_sa2_1B2_triplet.inp
|
data Martial
|
2022-03-16 12:56:46 +01:00 |
|
streptocyanine_cas7pt3_avtz_S0min_sa2_1B2_triplet.out
|
data Martial
|
2022-03-16 12:56:46 +01:00 |
|
streptocyanine_cas7pt3_avtz_S0min_sa2_1B2.inp
|
data Martial
|
2022-03-16 12:56:46 +01:00 |
|
streptocyanine_cas7pt3_avtz_S0min_sa2_1B2.out
|
data Martial
|
2022-03-16 12:56:46 +01:00 |
|
tetrazine_cas6pt3_avtz_S0min_sa2_B2u_triplet.inp
|
data Martial
|
2022-03-16 12:56:46 +01:00 |
|
tetrazine_cas6pt3_avtz_S0min_sa2_B2u_triplet.out
|
data Martial
|
2022-03-16 12:56:46 +01:00 |
|
tetrazine_cas6pt3_avtz_S0min_sa2_B2u.inp
|
data Martial
|
2022-03-16 12:56:46 +01:00 |
|
tetrazine_cas6pt3_avtz_S0min_sa2_B2u.out
|
data Martial
|
2022-03-16 12:56:46 +01:00 |
|
tetrazine_cas9pt3_avtz_S0min_sa3_2B1u_triplet.inp
|
data Martial
|
2022-03-16 12:56:46 +01:00 |
|
tetrazine_cas9pt3_avtz_S0min_sa3_2B1u_triplet.out
|
data Martial
|
2022-03-16 12:56:46 +01:00 |
|
tetrazine_cas10pt3_avtz_S0min_sa2_2ag_ipea.inp
|
data Martial
|
2022-03-16 12:56:46 +01:00 |
|
tetrazine_cas10pt3_avtz_S0min_sa2_2ag_ipea.out
|
data Martial
|
2022-03-16 12:56:46 +01:00 |
|
tetrazine_cas10pt3_avtz_S0min_sa2_2ag_noipea.inp
|
data Martial
|
2022-03-16 12:56:46 +01:00 |
|
tetrazine_cas10pt3_avtz_S0min_sa2_2ag_noipea.out
|
data Martial
|
2022-03-16 12:56:46 +01:00 |
|
tetrazine_cas10pt3_avtz_S0min_sa2_Au_triplet.inp
|
data Martial
|
2022-03-16 12:56:46 +01:00 |
|
tetrazine_cas10pt3_avtz_S0min_sa2_Au_triplet.out
|
data Martial
|
2022-03-16 12:56:46 +01:00 |
|
tetrazine_cas10pt3_avtz_S0min_sa2_Au.inp
|
data Martial
|
2022-03-16 12:56:46 +01:00 |
|
tetrazine_cas10pt3_avtz_S0min_sa2_Au.out
|
data Martial
|
2022-03-16 12:56:46 +01:00 |
|
tetrazine_cas10pt3_avtz_S0min_sa2_B1g_triplet.inp
|
data Martial
|
2022-03-16 12:56:46 +01:00 |
|
tetrazine_cas10pt3_avtz_S0min_sa2_B1g_triplet.out
|
data Martial
|
2022-03-16 12:56:46 +01:00 |
|
tetrazine_cas10pt3_avtz_S0min_sa2_B1g.inp
|
data Martial
|
2022-03-16 12:56:46 +01:00 |
|
tetrazine_cas10pt3_avtz_S0min_sa2_B1g.out
|
data Martial
|
2022-03-16 12:56:46 +01:00 |
|
tetrazine_cas10pt3_avtz_S0min_sa2_B2g_triplet.inp
|
data Martial
|
2022-03-16 12:56:46 +01:00 |
|
tetrazine_cas10pt3_avtz_S0min_sa2_B2g_triplet.out
|
data Martial
|
2022-03-16 12:56:46 +01:00 |
|
tetrazine_cas10pt3_avtz_S0min_sa2_B2g.inp
|
data Martial
|
2022-03-16 12:56:46 +01:00 |
|
tetrazine_cas10pt3_avtz_S0min_sa2_B2g.out
|
data Martial
|
2022-03-16 12:56:46 +01:00 |
|
tetrazine_cas10pt3_avtz_S0min_sa2_B3g_triplet.inp
|
data Martial
|
2022-03-16 12:56:46 +01:00 |
|
tetrazine_cas10pt3_avtz_S0min_sa2_B3g_triplet.out
|
data Martial
|
2022-03-16 12:56:46 +01:00 |
|
tetrazine_cas10pt3_avtz_S0min_sa2_B3g.inp
|
data Martial
|
2022-03-16 12:56:46 +01:00 |
|
tetrazine_cas10pt3_avtz_S0min_sa2_B3g.out
|
data Martial
|
2022-03-16 12:56:46 +01:00 |
|
tetrazine_cas10pt3_avtz_S0min_sa2_B3u_triplet.inp
|
data Martial
|
2022-03-16 12:56:46 +01:00 |
|
tetrazine_cas10pt3_avtz_S0min_sa2_B3u_triplet.out
|
data Martial
|
2022-03-16 12:56:46 +01:00 |
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tetrazine_cas10pt3_avtz_S0min_sa2_B3u.inp
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data Martial
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2022-03-16 12:56:46 +01:00 |
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tetrazine_cas10pt3_avtz_S0min_sa2_B3u.out
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data Martial
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2022-03-16 12:56:46 +01:00 |
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tetrazine_cas10pt3_avtz_S0min_sa3_2Au_triplet.inp
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data Martial
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2022-03-16 12:56:46 +01:00 |
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tetrazine_cas10pt3_avtz_S0min_sa3_2Au_triplet.out
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data Martial
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2022-03-16 12:56:46 +01:00 |
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tetrazine_cas10pt3_avtz_S0min_sa3_2Au.inp
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data Martial
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2022-03-16 12:56:46 +01:00 |
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tetrazine_cas10pt3_avtz_S0min_sa3_2Au.out
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data Martial
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2022-03-16 12:56:46 +01:00 |
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tetrazine_cas10pt3_avtz_S0min_sa3_2B1g.inp
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data Martial
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2022-03-16 12:56:46 +01:00 |
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tetrazine_cas10pt3_avtz_S0min_sa3_2B1g.out
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data Martial
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2022-03-16 12:56:46 +01:00 |
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tetrazine_cas10pt3_avtz_S0min_sa3_2B2g.inp
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data Martial
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2022-03-16 12:56:46 +01:00 |
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tetrazine_cas10pt3_avtz_S0min_sa3_2B2g.out
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data Martial
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2022-03-16 12:56:46 +01:00 |
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thioacetone_cas4pt3_avtz_S0min_sa2_1A1_triplet.inp
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data Martial
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2022-03-16 12:56:46 +01:00 |
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thioacetone_cas4pt3_avtz_S0min_sa2_1A1_triplet.out
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data Martial
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2022-03-16 12:56:46 +01:00 |
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thioacetone_cas5pt3_avtz_S0min_sa2_1A2_triplet.inp
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data Martial
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2022-03-16 12:56:46 +01:00 |
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thioacetone_cas5pt3_avtz_S0min_sa2_1A2_triplet.out
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data Martial
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2022-03-16 12:56:46 +01:00 |
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thioacetone_cas5pt3_avtz_S0min_sa2_1A2.inp
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data Martial
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2022-03-16 12:56:46 +01:00 |
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thioacetone_cas5pt3_avtz_S0min_sa2_1A2.out
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data Martial
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2022-03-16 12:56:46 +01:00 |
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thioacetone_cas6pt3_avtz_S0min_sa3_3A1.inp
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data Martial
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2022-03-16 12:56:46 +01:00 |
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thioacetone_cas6pt3_avtz_S0min_sa3_3A1.out
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data Martial
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2022-03-16 12:56:46 +01:00 |
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thioacetone_cas7pt3_avtz_S0min_sa3_2B2.inp
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data Martial
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2022-03-16 12:56:46 +01:00 |
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thioacetone_cas7pt3_avtz_S0min_sa3_2B2.out
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data Martial
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2022-03-16 12:56:46 +01:00 |
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thiophene_cas5pt3_avtz_S0min_sa2_1B2_triplet.inp
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data Martial
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2022-03-16 12:56:46 +01:00 |
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thiophene_cas5pt3_avtz_S0min_sa2_1B2_triplet.out
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data Martial
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2022-03-16 12:56:46 +01:00 |
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thiophene_cas5pt3_avtz_S0min_sa3_2A1_triplet.inp
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data Martial
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2022-03-16 12:56:46 +01:00 |
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thiophene_cas5pt3_avtz_S0min_sa3_2A1_triplet.out
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data Martial
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2022-03-16 12:56:46 +01:00 |
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thiophene_cas5pt3_avtz_S0min_sa3_3A1_ls04.inp
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data Martial
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2022-03-16 12:56:46 +01:00 |
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thiophene_cas5pt3_avtz_S0min_sa3_3A1_ls04.out
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data Martial
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2022-03-16 12:56:46 +01:00 |
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thiophene_cas5pt3_avtz_S0min_sa3_3A1.inp
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data Martial
|
2022-03-16 12:56:46 +01:00 |
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thiophene_cas5pt3_avtz_S0min_sa3_3A1.out
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data Martial
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2022-03-16 12:56:46 +01:00 |
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thiophene_cas6pt3_avtz_S0min_sa2_1A2_triplet.inp
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data Martial
|
2022-03-16 12:56:46 +01:00 |
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thiophene_cas6pt3_avtz_S0min_sa2_1A2_triplet.out
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data Martial
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2022-03-16 12:56:46 +01:00 |
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thiophene_cas6pt3_avtz_S0min_sa2_1A2.inp
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data Martial
|
2022-03-16 12:56:46 +01:00 |
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thiophene_cas6pt3_avtz_S0min_sa2_1A2.out
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data Martial
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2022-03-16 12:56:46 +01:00 |
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thiophene_cas6pt3_avtz_S0min_sa2_1B1_triplet.inp
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data Martial
|
2022-03-16 12:56:46 +01:00 |
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thiophene_cas6pt3_avtz_S0min_sa2_1B1_triplet.out
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data Martial
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2022-03-16 12:56:46 +01:00 |
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thiophene_cas6pt3_avtz_S0min_sa2_1B1.inp
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data Martial
|
2022-03-16 12:56:46 +01:00 |
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thiophene_cas6pt3_avtz_S0min_sa2_1B1.out
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data Martial
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2022-03-16 12:56:46 +01:00 |
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thiophene_cas6pt3_avtz_S0min_sa2_2A2.inp
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data Martial
|
2022-03-16 12:56:46 +01:00 |
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thiophene_cas6pt3_avtz_S0min_sa2_2A2.out
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data Martial
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2022-03-16 12:56:46 +01:00 |
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thiophene_cas7pt3_avtz_S0min_sa3_2B1.inp
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data Martial
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2022-03-16 12:56:46 +01:00 |
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thiophene_cas7pt3_avtz_S0min_sa3_2B1.out
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data Martial
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2022-03-16 12:56:46 +01:00 |
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thiophene_cas7pt3_avtz_S0min_sa3_2B2.inp
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data Martial
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2022-03-16 12:56:46 +01:00 |
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thiophene_cas7pt3_avtz_S0min_sa3_2B2.out
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data Martial
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2022-03-16 12:56:46 +01:00 |
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thiopropynal_cas7pt3_avtz_S0min_sa2_1As_triplet.inp
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data Martial
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2022-03-16 12:56:46 +01:00 |
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thiopropynal_cas7pt3_avtz_S0min_sa2_1As_triplet.out
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data Martial
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2022-03-16 12:56:46 +01:00 |
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thiopropynal_cas7pt3_avtz_S0min_sa2_1As.inp
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data Martial
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2022-03-16 12:56:46 +01:00 |
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thiopropynal_cas7pt3_avtz_S0min_sa2_1As.out
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data Martial
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2022-03-16 12:56:46 +01:00 |
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triazine_cas9pt3_avtz_S0min_sa2_2A1p.inp
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data Martial
|
2022-03-16 12:56:46 +01:00 |
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triazine_cas9pt3_avtz_S0min_sa2_2A1p.out
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data Martial
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2022-03-16 12:56:46 +01:00 |
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triazine_cas9pt3_avtz_S0min_sa2_A1p_triplet.inp
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data Martial
|
2022-03-16 12:56:46 +01:00 |
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triazine_cas9pt3_avtz_S0min_sa2_A1p_triplet.out
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data Martial
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2022-03-16 12:56:46 +01:00 |
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triazine_cas9pt3_avtz_S0min_sa2_A2p_triplet.inp
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data Martial
|
2022-03-16 12:56:46 +01:00 |
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triazine_cas9pt3_avtz_S0min_sa2_A2p_triplet.out
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data Martial
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2022-03-16 12:56:46 +01:00 |
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triazine_cas9pt3_avtz_S0min_sa2_A2p.inp
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data Martial
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2022-03-16 12:56:46 +01:00 |
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triazine_cas9pt3_avtz_S0min_sa2_A2p.out
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data Martial
|
2022-03-16 12:56:46 +01:00 |
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triazine_cas9pt3_avtz_S0min_sa2_A2s_triplet.inp
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data Martial
|
2022-03-16 12:56:46 +01:00 |
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triazine_cas9pt3_avtz_S0min_sa2_A2s_triplet.out
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data Martial
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2022-03-16 12:56:46 +01:00 |
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triazine_cas9pt3_avtz_S0min_sa2_A2s.inp
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data Martial
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2022-03-16 12:56:46 +01:00 |
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triazine_cas9pt3_avtz_S0min_sa2_A2s.out
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data Martial
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2022-03-16 12:56:46 +01:00 |
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triazine_cas9pt3_avtz_S0min_sa3_2Es.inp
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data Martial
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2022-03-16 12:56:46 +01:00 |
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triazine_cas9pt3_avtz_S0min_sa3_2Es.out
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data Martial
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2022-03-16 12:56:46 +01:00 |
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triazine_cas9pt3_avtz_S0min_sa4_Ep_triplet.inp
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data Martial
|
2022-03-16 12:56:46 +01:00 |
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triazine_cas9pt3_avtz_S0min_sa4_Ep_triplet.out
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data Martial
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2022-03-16 12:56:46 +01:00 |
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triazine_cas9pt3_avtz_S0min_sa5_Es_triplet.inp
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data Martial
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2022-03-16 12:56:46 +01:00 |
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triazine_cas9pt3_avtz_S0min_sa5_Es_triplet.out
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data Martial
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2022-03-16 12:56:46 +01:00 |
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triazine_cas9pt3_avtz_S0min_sa5_Es.inp
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data Martial
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2022-03-16 12:56:46 +01:00 |
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triazine_cas9pt3_avtz_S0min_sa5_Es.out
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data Martial
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2022-03-16 12:56:46 +01:00 |
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triazine_cas9pt3_avtz_S0min_sa7_2Ep.inp
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data Martial
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2022-03-16 12:56:46 +01:00 |
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triazine_cas9pt3_avtz_S0min_sa7_2Ep.out
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data Martial
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2022-03-16 12:56:46 +01:00 |
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triazine_cas10pt3_avtz_S0min_sa4_Ep.inp
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data Martial
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2022-03-16 12:56:46 +01:00 |
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triazine_cas10pt3_avtz_S0min_sa4_Ep.out
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data Martial
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2022-03-16 12:56:46 +01:00 |
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triazine_cas10pt3_avtz_S0min_sa9_3Ep.inp
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data Martial
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2022-03-16 12:56:46 +01:00 |
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triazine_cas10pt3_avtz_S0min_sa9_3Ep.out
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data Martial
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2022-03-16 12:56:46 +01:00 |
