| .. |
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acetylene_CC3_aug-cc-pVTZ.dat
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Fix # Number Spin Symm comment
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2019-11-17 17:43:01 +01:00 |
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acetylene_CCSDT_aug-cc-pVTZ.dat
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Fix # Number Spin Symm comment
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2019-11-17 17:43:01 +01:00 |
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acetylene_CCSDTQ_aug-cc-pVDZ.dat
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Fix # Number Spin Symm comment
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2019-11-17 17:43:01 +01:00 |
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acetylene_exFCI_aug-cc-pVDZ.dat
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Fix # Number Spin Symm comment
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2019-11-17 17:43:01 +01:00 |
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acetylene_exFCI_aug-cc-pVTZ.dat
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Fix # Number Spin Symm comment
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2019-11-17 17:43:01 +01:00 |
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acetylene_exp.dat
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Fix # Number Spin Symm comment
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2019-11-17 17:43:01 +01:00 |
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ammonia_CC3_aug-cc-pVDZ.dat
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Fix # Number Spin Symm comment
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2019-11-17 17:43:01 +01:00 |
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ammonia_CC3_aug-cc-pVQZ.dat
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Fix # Number Spin Symm comment
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2019-11-17 17:43:01 +01:00 |
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ammonia_CC3_aug-cc-pVTZ.dat
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Fix # Number Spin Symm comment
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2019-11-17 17:43:01 +01:00 |
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ammonia_CCSDT_aug-cc-pVDZ.dat
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Fix # Number Spin Symm comment
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2019-11-17 17:43:01 +01:00 |
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ammonia_CCSDT_aug-cc-pVQZ.dat
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Fix # Number Spin Symm comment
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2019-11-17 17:43:01 +01:00 |
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ammonia_CCSDT_aug-cc-pVTZ.dat
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Fix # Number Spin Symm comment
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2019-11-17 17:43:01 +01:00 |
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ammonia_CCSDTQ_aug-cc-pVDZ.dat
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Fix # Number Spin Symm comment
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2019-11-17 17:43:01 +01:00 |
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ammonia_CCSDTQ_aug-cc-pVTZ.dat
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Fix # Number Spin Symm comment
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2019-11-17 17:43:01 +01:00 |
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ammonia_CCSDTQP_aug-cc-pVDZ.dat
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Fix # Number Spin Symm comment
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2019-11-17 17:43:01 +01:00 |
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ammonia_exFCI_aug-cc-pVDZ.dat
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Fix # Number Spin Symm comment
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2019-11-17 17:43:01 +01:00 |
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ammonia_exFCI_aug-cc-pVQZ.dat
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Fix # Number Spin Symm comment
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2019-11-17 17:43:01 +01:00 |
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ammonia_exFCI_aug-cc-pVTZ.dat
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Fix # Number Spin Symm comment
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2019-11-17 17:43:01 +01:00 |
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ammonia_exp.dat
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Fix # Number Spin Symm comment
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2019-11-17 17:43:01 +01:00 |
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carbon_monoxide_CC3_aug-cc-pVQZ.dat
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Fix # Number Spin Symm comment
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2019-11-17 17:43:01 +01:00 |
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carbon_monoxide_CC3_aug-cc-pVTZ.dat
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Fix # Number Spin Symm comment
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2019-11-17 17:43:01 +01:00 |
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carbon_monoxide_CCSDT_aug-cc-pVQZ.dat
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Fix # Number Spin Symm comment
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2019-11-17 17:43:01 +01:00 |
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carbon_monoxide_CCSDT_aug-cc-pVTZ.dat
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Fix # Number Spin Symm comment
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2019-11-17 17:43:01 +01:00 |
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carbon_monoxide_CCSDTQ_aug-cc-pVDZ.dat
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Fix # Number Spin Symm comment
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2019-11-17 17:43:01 +01:00 |
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carbon_monoxide_CCSDTQ_aug-cc-pVTZ.dat
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Fix # Number Spin Symm comment
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2019-11-17 17:43:01 +01:00 |
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carbon_monoxide_CCSDTQP_aug-cc-pVDZ.dat
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Fix # Number Spin Symm comment
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2019-11-17 17:43:01 +01:00 |
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carbon_monoxide_exFCI_aug-cc-pVDZ.dat
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Fix # Number Spin Symm comment
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2019-11-17 17:43:01 +01:00 |
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carbon_monoxide_exFCI_aug-cc-pVQZ.dat
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Fix # Number Spin Symm comment
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2019-11-17 17:43:01 +01:00 |
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carbon_monoxide_exFCI_aug-cc-pVTZ.dat
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Fix # Number Spin Symm comment
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2019-11-17 17:43:01 +01:00 |
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carbon_monoxide_exp..dat
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Fix # Number Spin Symm comment
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2019-11-17 17:43:01 +01:00 |
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dinitrogen_CC3_aug-cc-pVQZ.dat
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Fix # Number Spin Symm comment
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2019-11-17 17:43:01 +01:00 |
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dinitrogen_CC3_aug-cc-pVTZ.dat
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Fix # Number Spin Symm comment
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2019-11-17 17:43:01 +01:00 |
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dinitrogen_CCSDT_aug-cc-pVQZ.dat
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Fix # Number Spin Symm comment
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2019-11-17 17:43:01 +01:00 |
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dinitrogen_CCSDT_aug-cc-pVTZ.dat
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Fix # Number Spin Symm comment
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2019-11-17 17:43:01 +01:00 |
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dinitrogen_CCSDTQ_aug-cc-pVDZ.dat
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Fix # Number Spin Symm comment
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2019-11-17 17:43:01 +01:00 |
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dinitrogen_CCSDTQ_aug-cc-pVTZ.dat
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Fix # Number Spin Symm comment
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2019-11-17 17:43:01 +01:00 |
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dinitrogen_CCSDTQP_aug-cc-pVDZ.dat
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Fix # Number Spin Symm comment
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2019-11-17 17:43:01 +01:00 |
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dinitrogen_exFCI_aug-cc-pVDZ.dat
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Fix # Number Spin Symm comment
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2019-11-17 17:43:01 +01:00 |
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dinitrogen_exFCI_aug-cc-pVQZ.dat
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Fix # Number Spin Symm comment
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2019-11-17 17:43:01 +01:00 |
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dinitrogen_exFCI_aug-cc-pVTZ.dat
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Fix # Number Spin Symm comment
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2019-11-17 17:43:01 +01:00 |
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dinitrogen_exp..dat
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Fix # Number Spin Symm comment
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2019-11-17 17:43:01 +01:00 |
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ethylene_CC3_aug-cc-pVTZ.dat
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Fix # Number Spin Symm comment
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2019-11-17 17:43:01 +01:00 |
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ethylene_CCSDT_aug-cc-pVTZ.dat
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Fix # Number Spin Symm comment
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2019-11-17 17:43:01 +01:00 |
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ethylene_CCSDTQ_aug-cc-pVDZ.dat
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Fix # Number Spin Symm comment
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2019-11-17 17:43:01 +01:00 |
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ethylene_exFCI_aug-cc-pVDZ.dat
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Fix # Number Spin Symm comment
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2019-11-17 17:43:01 +01:00 |
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ethylene_exFCI_aug-cc-pVTZ.dat
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Fix # Number Spin Symm comment
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2019-11-17 17:43:01 +01:00 |
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ethylene_exp..dat
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Fix # Number Spin Symm comment
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2019-11-17 17:43:01 +01:00 |
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formaldehyde_CC3_aug-cc-pVTZ.dat
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Fix # Number Spin Symm comment
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2019-11-17 17:43:01 +01:00 |
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formaldehyde_CCSDT_aug-cc-pVTZ.dat
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Fix # Number Spin Symm comment
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2019-11-17 17:43:01 +01:00 |
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formaldehyde_CCSDTQ_aug-cc-pVDZ.dat
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Fix # Number Spin Symm comment
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2019-11-17 17:43:01 +01:00 |
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formaldehyde_exFCI_aug-cc-pVDZ.dat
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Fix # Number Spin Symm comment
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2019-11-17 17:43:01 +01:00 |
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formaldehyde_exFCI_aug-cc-pVTZ.dat
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Fix # Number Spin Symm comment
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2019-11-17 17:43:01 +01:00 |
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formaldehyde_exp..dat
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Fix # Number Spin Symm comment
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2019-11-17 17:43:01 +01:00 |
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hydrogen_chloride_CC3_aug-cc-pVDZ.dat
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Fix # Number Spin Symm comment
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2019-11-17 17:43:01 +01:00 |
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hydrogen_chloride_CC3_aug-cc-pVQZ.dat
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Fix # Number Spin Symm comment
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2019-11-17 17:43:01 +01:00 |
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hydrogen_chloride_CC3_aug-cc-pVTZ.dat
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Fix # Number Spin Symm comment
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2019-11-17 17:43:01 +01:00 |
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hydrogen_chloride_CCSDT_aug-cc-pVDZ.dat
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Fix # Number Spin Symm comment
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2019-11-17 17:43:01 +01:00 |
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hydrogen_chloride_CCSDT_aug-cc-pVQZ.dat
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Fix # Number Spin Symm comment
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2019-11-17 17:43:01 +01:00 |
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hydrogen_chloride_CCSDT_aug-cc-pVTZ.dat
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Fix # Number Spin Symm comment
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2019-11-17 17:43:01 +01:00 |
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hydrogen_chloride_CCSDTQ_aug-cc-pVDZ.dat
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Fix # Number Spin Symm comment
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2019-11-17 17:43:01 +01:00 |
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hydrogen_chloride_CCSDTQ_aug-cc-pVTZ.dat
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Fix # Number Spin Symm comment
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2019-11-17 17:43:01 +01:00 |
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hydrogen_chloride_CCSDTQP_aug-cc-pVDZ.dat
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Fix # Number Spin Symm comment
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2019-11-17 17:43:01 +01:00 |
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hydrogen_chloride_exFCI_aug-cc-pVDZ.dat
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Fix # Number Spin Symm comment
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2019-11-17 17:43:01 +01:00 |
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hydrogen_chloride_exFCI_aug-cc-pVQZ.dat
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Fix # Number Spin Symm comment
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2019-11-17 17:43:01 +01:00 |
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hydrogen_chloride_exFCI_aug-cc-pVTZ.dat
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Fix # Number Spin Symm comment
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2019-11-17 17:43:01 +01:00 |
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hydrogen_sulfide_CC3_aug-cc-pVDZ.dat
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Fix # Number Spin Symm comment
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2019-11-17 17:43:01 +01:00 |
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hydrogen_sulfide_CC3_aug-cc-pVQZ.dat
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Fix # Number Spin Symm comment
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2019-11-17 17:43:01 +01:00 |
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hydrogen_sulfide_CC3_aug-cc-pVTZ.dat
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Fix # Number Spin Symm comment
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2019-11-17 17:43:01 +01:00 |
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hydrogen_sulfide_CCSDT_aug-cc-pVDZ.dat
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Fix # Number Spin Symm comment
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2019-11-17 17:43:01 +01:00 |
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hydrogen_sulfide_CCSDT_aug-cc-pVQZ.dat
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Fix # Number Spin Symm comment
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2019-11-17 17:43:01 +01:00 |
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hydrogen_sulfide_CCSDT_aug-cc-pVTZ.dat
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Fix # Number Spin Symm comment
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2019-11-17 17:43:01 +01:00 |
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hydrogen_sulfide_CCSDTQ_aug-cc-pVDZ.dat
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Fix # Number Spin Symm comment
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2019-11-17 17:43:01 +01:00 |
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hydrogen_sulfide_CCSDTQ_aug-cc-pVTZ.dat
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Fix # Number Spin Symm comment
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2019-11-17 17:43:01 +01:00 |
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hydrogen_sulfide_CCSDTQP_aug-cc-pVDZ.dat
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Fix # Number Spin Symm comment
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2019-11-17 17:43:01 +01:00 |
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hydrogen_sulfide_exFCI_aug-cc-pVDZ.dat
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Fix # Number Spin Symm comment
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2019-11-17 17:43:01 +01:00 |
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hydrogen_sulfide_exFCI_aug-cc-pVQZ.dat
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Fix # Number Spin Symm comment
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2019-11-17 17:43:01 +01:00 |
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hydrogen_sulfide_exFCI_aug-cc-pVTZ.dat
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Fix # Number Spin Symm comment
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2019-11-17 17:43:01 +01:00 |
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hydrogen_sulfide_exp.dat
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Fix # Number Spin Symm comment
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2019-11-17 17:43:01 +01:00 |
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methanimine_CC3_aug-cc-pVTZ.dat
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Add methanimine data
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2019-11-18 10:42:51 +01:00 |
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methanimine_CCSDT_aug-cc-pVTZ.dat
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Add methanimine data
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2019-11-18 10:42:51 +01:00 |
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methanimine_CCSDTQ_aug-cc-pVDZ.dat
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Add methanimine data
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2019-11-18 10:42:51 +01:00 |
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methanimine_exFCI_aug-cc-pVDZ.dat
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Add methanimine data
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2019-11-18 10:42:51 +01:00 |
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methanimine_exFCI_aug-cc-pVTZ.dat
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Add methanimine data
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2019-11-18 10:42:51 +01:00 |
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thioformaldehyde_CC3_aug-cc-pVTZ.dat
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Add thioformaldehyde data
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2019-11-18 11:47:07 +01:00 |
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thioformaldehyde_CCSDT_aug-cc-pVTZ.dat
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Add thioformaldehyde data
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2019-11-18 11:47:07 +01:00 |
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thioformaldehyde_CCSDTQ_aug-cc-pVDZ.dat
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Add thioformaldehyde data
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2019-11-18 11:47:07 +01:00 |
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thioformaldehyde_exFCI_aug-cc-pVDZ.dat
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Add thioformaldehyde data
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2019-11-18 11:47:07 +01:00 |
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thioformaldehyde_exFCI_aug-cc-pVTZ.dat
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Add thioformaldehyde data
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2019-11-18 11:47:07 +01:00 |
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thioformaldehyde_exp.dat
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Add thioformaldehyde data
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2019-11-18 11:47:07 +01:00 |
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water_CC3_aug-cc-pVDZ.dat
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Fix # Number Spin Symm comment
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2019-11-17 17:43:01 +01:00 |
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water_CC3_aug-cc-pVQZ.dat
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Fix # Number Spin Symm comment
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2019-11-17 17:43:01 +01:00 |
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water_CC3_aug-cc-pVTZ.dat
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Fix # Number Spin Symm comment
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2019-11-17 17:43:01 +01:00 |
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water_CCSDT_aug-cc-pVDZ.dat
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Fix # Number Spin Symm comment
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2019-11-17 17:43:01 +01:00 |
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water_CCSDT_aug-cc-pVQZ.dat
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Fix # Number Spin Symm comment
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2019-11-17 17:43:01 +01:00 |
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water_CCSDT_aug-cc-pVTZ.dat
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Fix # Number Spin Symm comment
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2019-11-17 17:43:01 +01:00 |
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water_CCSDTQ_aug-cc-pVDZ.dat
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Fix # Number Spin Symm comment
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2019-11-17 17:43:01 +01:00 |
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water_CCSDTQ_aug-cc-pVTZ.dat
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Fix # Number Spin Symm comment
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2019-11-17 17:43:01 +01:00 |
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water_CCSDTQP_aug-cc-pVDZ.dat
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Fix # Number Spin Symm comment
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2019-11-17 17:43:01 +01:00 |
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water_exFCI_aug-cc-pVDZ.dat
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Fix # Number Spin Symm comment
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2019-11-17 17:43:01 +01:00 |
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water_exFCI_aug-cc-pVQZ.dat
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Fix # Number Spin Symm comment
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2019-11-17 17:43:01 +01:00 |
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water_exFCI_aug-cc-pVTZ.dat
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Fix # Number Spin Symm comment
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2019-11-17 17:43:01 +01:00 |
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water_exp.dat
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Fix # Number Spin Symm comment
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2019-11-17 17:43:01 +01:00 |
