| .. |
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acetaldehyde_CC3_aug-cc-pVDZ.dat
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Add data from the first second type tabular
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2019-11-19 14:19:45 +01:00 |
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acetaldehyde_CC3_aug-cc-pVTZ.dat
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Add data from the first second type tabular
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2019-11-19 14:19:45 +01:00 |
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acetaldehyde_CCSDT_aug-cc-pVDZ.dat
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Add data from the first second type tabular
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2019-11-19 14:19:45 +01:00 |
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acetaldehyde_CCSDT_aug-cc-pVTZ.dat
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Add data from the first second type tabular
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2019-11-19 14:19:45 +01:00 |
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acetaldehyde_exFCI_aug-cc-pVDZ.dat
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Add data from the first second type tabular
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2019-11-19 14:19:45 +01:00 |
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acetaldehyde_exFCI_aug-cc-pVTZ.dat
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Add data from the first second type tabular
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2019-11-19 14:19:45 +01:00 |
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acetaldehyde_exp.dat
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Add data from the first second type tabular
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2019-11-19 14:19:45 +01:00 |
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acetaldehyde_TBE-corr.dat
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Move files on the right place
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2020-01-29 17:20:34 +01:00 |
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acetaldehyde_TBE.dat
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2020-01-29 17:20:34 +01:00 |
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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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acetylene_TBE-corr.dat
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Move files on the right place
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2020-01-29 17:20:34 +01:00 |
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acetylene_TBE.dat
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Move files on the right place
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2020-01-29 17:20:34 +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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ammonia_TBE-corr.dat
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Move files on the right place
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2020-01-29 17:20:34 +01:00 |
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ammonia_TBE.dat
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Move files on the right place
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2020-01-29 17:20:34 +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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carbon_monoxyde_TBE-corr.dat
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2020-01-29 17:20:34 +01:00 |
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carbon_monoxyde_TBE.dat
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Move files on the right place
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2020-01-29 17:20:34 +01:00 |
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cyclopropene_CC3_aug-cc-pVDZ.dat
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Add data from the first second type tabular
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2019-11-19 14:19:45 +01:00 |
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cyclopropene_CC3_aug-cc-pVTZ.dat
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Add data from the first second type tabular
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2019-11-19 14:19:45 +01:00 |
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cyclopropene_CCSDT_aug-cc-pVDZ.dat
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Add data from the first second type tabular
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2019-11-19 14:19:45 +01:00 |
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cyclopropene_CCSDT_aug-cc-pVTZ.dat
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Add data from the first second type tabular
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2019-11-19 14:19:45 +01:00 |
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cyclopropene_exFCI_aug-cc-pVDZ.dat
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Add data from the first second type tabular
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2019-11-19 14:19:45 +01:00 |
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cyclopropene_exFCI_aug-cc-pVTZ.dat
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Add data from the first second type tabular
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2019-11-19 14:19:45 +01:00 |
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cyclopropene_exp.dat
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Add data from the first second type tabular
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2019-11-19 14:19:45 +01:00 |
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cyclopropene_TBE-corr.dat
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Move files on the right place
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2020-01-29 17:20:34 +01:00 |
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cyclopropene_TBE.dat
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Move files on the right place
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2020-01-29 17:20:34 +01:00 |
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diazomethane_CC3_aug-cc-pVDZ.dat
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Add data from the first second type tabular
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2019-11-19 14:19:45 +01:00 |
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diazomethane_CC3_aug-cc-pVTZ.dat
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Add data from the first second type tabular
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2019-11-19 14:19:45 +01:00 |
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diazomethane_CCSDT_aug-cc-pVDZ.dat
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Add data from the first second type tabular
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2019-11-19 14:19:45 +01:00 |
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diazomethane_CCSDT_aug-cc-pVTZ.dat
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Add data from the first second type tabular
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2019-11-19 14:19:45 +01:00 |
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diazomethane_exFCI_aug-cc-pVDZ.dat
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Add data from the first second type tabular
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2019-11-19 14:19:45 +01:00 |
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diazomethane_exFCI_aug-cc-pVTZ.dat
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Add data from the first second type tabular
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2019-11-19 14:19:45 +01:00 |
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diazomethane_exp.dat
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Add data from the first second type tabular
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2019-11-19 14:19:45 +01:00 |
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diazomethane_TBE-corr.dat
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Move files on the right place
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2020-01-29 17:20:34 +01:00 |
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diazomethane_TBE.dat
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Move files on the right place
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2020-01-29 17:20:34 +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 space in file
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2020-01-29 17:20:34 +01:00 |
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dinitrogen_exp.dat
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Fix point
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2019-11-21 10:09:29 +01:00 |
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dinitrogen_TBE-corr.dat
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Move files on the right place
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2020-01-29 17:20:34 +01:00 |
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dinitrogen_TBE.dat
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Move files on the right place
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2020-01-29 17:20:34 +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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ethylene_TBE-corr.dat
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Move files on the right place
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2020-01-29 17:20:34 +01:00 |
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ethylene_TBE.dat
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Move files on the right place
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2020-01-29 17:20:34 +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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formaldehyde_TBE-corr.dat
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Move files on the right place
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2020-01-29 17:20:34 +01:00 |
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formaldehyde_TBE.dat
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Move files on the right place
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2020-01-29 17:20:34 +01:00 |
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formamide_CC3_aug-cc-pVDZ.dat
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Add data from the first second type tabular
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2019-11-19 14:19:45 +01:00 |
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formamide_CC3_aug-cc-pVTZ.dat
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Add data from the first second type tabular
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2019-11-19 14:19:45 +01:00 |
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formamide_CCSDT_aug-cc-pVDZ.dat
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Add data from the first second type tabular
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2019-11-19 14:19:45 +01:00 |
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formamide_CCSDT_aug-cc-pVTZ.dat
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Add data from the first second type tabular
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2019-11-19 14:19:45 +01:00 |
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formamide_exFCI_aug-cc-pVDZ.dat
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Add data from the first second type tabular
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2019-11-19 14:19:45 +01:00 |
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formamide_exFCI_aug-cc-pVTZ.dat
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Add data from the first second type tabular
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2019-11-19 14:19:45 +01:00 |
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formamide_exp.dat
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Add data from the first second type tabular
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2019-11-19 14:19:45 +01:00 |
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formamide_TBE-corr.dat
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Move files on the right place
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2020-01-29 17:20:34 +01:00 |
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formamide_TBE.dat
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Move files on the right place
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2020-01-29 17:20:34 +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_chloride_TBE-corr.dat
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Move files on the right place
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2020-01-29 17:20:34 +01:00 |
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hydrogen_chloride_TBE.dat
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Move files on the right place
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2020-01-29 17:20:34 +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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hydrogen_sulfide_TBE-corr.dat
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2020-01-29 17:20:34 +01:00 |
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hydrogen_sulfide_TBE.dat
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Move files on the right place
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2020-01-29 17:20:34 +01:00 |
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ketene_CC3_aug-cc-pVDZ.dat
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Add data from the first second type tabular
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2019-11-19 14:19:45 +01:00 |
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ketene_CC3_aug-cc-pVTZ.dat
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Add data from the first second type tabular
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2019-11-19 14:19:45 +01:00 |
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ketene_CCSDT_aug-cc-pVDZ.dat
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Add data from the first second type tabular
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2019-11-19 14:19:45 +01:00 |
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ketene_CCSDT_aug-cc-pVTZ.dat
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Add data from the first second type tabular
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2019-11-19 14:19:45 +01:00 |
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ketene_exFCI_aug-cc-pVDZ.dat
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Add data from the first second type tabular
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2019-11-19 14:19:45 +01:00 |
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ketene_exFCI_aug-cc-pVTZ.dat
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Add data from the first second type tabular
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2019-11-19 14:19:45 +01:00 |
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ketene_exp.dat
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Add data from the first second type tabular
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2019-11-19 14:19:45 +01:00 |
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ketene_TBE-corr.dat
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2020-01-29 17:20:34 +01:00 |
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ketene_TBE.dat
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Move files on the right place
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2020-01-29 17:20:34 +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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methanimine_TBE-corr.dat
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Move files on the right place
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2020-01-29 17:20:34 +01:00 |
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methanimine_TBE.dat
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Move files on the right place
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2020-01-29 17:20:34 +01:00 |
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nitrosomethane_CC3_aug-cc-pVDZ.dat
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Add data from the first second type tabular
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2019-11-19 14:19:45 +01:00 |
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nitrosomethane_CC3_aug-cc-pVTZ.dat
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Add data from the first second type tabular
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2019-11-19 14:19:45 +01:00 |
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nitrosomethane_CCSDT_aug-cc-pVDZ.dat
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Add data from the first second type tabular
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2019-11-19 14:19:45 +01:00 |
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nitrosomethane_CCSDT_aug-cc-pVTZ.dat
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Add data from the first second type tabular
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2019-11-19 14:19:45 +01:00 |
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nitrosomethane_exFCI_aug-cc-pVDZ.dat
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Add data from the first second type tabular
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2019-11-19 14:19:45 +01:00 |
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nitrosomethane_exFCI_aug-cc-pVTZ.dat
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Add data from the first second type tabular
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2019-11-19 14:19:45 +01:00 |
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nitrosomethane_exp.dat
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Add data from the first second type tabular
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2019-11-19 14:19:45 +01:00 |
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nitrosomethane_TBE-corr.dat
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2020-01-29 17:20:34 +01:00 |
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nitrosomethane_TBE.dat
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2020-01-29 17:20:34 +01:00 |
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streptocyanine-c1_TBE-corr.dat
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2020-01-29 17:20:34 +01:00 |
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streptocyanine-c1_TBE.dat
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Move files on the right place
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2020-01-29 17:20:34 +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 |
|
thioformaldehyde_CCSDT_aug-cc-pVTZ.dat
|
Add thioformaldehyde data
|
2019-11-18 11:47:07 +01:00 |
|
thioformaldehyde_CCSDTQ_aug-cc-pVDZ.dat
|
Add thioformaldehyde data
|
2019-11-18 11:47:07 +01:00 |
|
thioformaldehyde_exFCI_aug-cc-pVDZ.dat
|
Add thioformaldehyde data
|
2019-11-18 11:47:07 +01:00 |
|
thioformaldehyde_exFCI_aug-cc-pVTZ.dat
|
Add thioformaldehyde data
|
2019-11-18 11:47:07 +01:00 |
|
thioformaldehyde_exp.dat
|
Add thioformaldehyde data
|
2019-11-18 11:47:07 +01:00 |
|
thioformaldehyde_TBE-corr.dat
|
Move files on the right place
|
2020-01-29 17:20:34 +01:00 |
|
thioformaldehyde_TBE.dat
|
Move files on the right place
|
2020-01-29 17:20:34 +01:00 |
|
water_CC3_aug-cc-pVDZ.dat
|
Fix # Number Spin Symm comment
|
2019-11-17 17:43:01 +01:00 |
|
water_CC3_aug-cc-pVQZ.dat
|
Fix # Number Spin Symm comment
|
2019-11-17 17:43:01 +01:00 |
|
water_CC3_aug-cc-pVTZ.dat
|
Fix # Number Spin Symm comment
|
2019-11-17 17:43:01 +01:00 |
|
water_CCSDT_aug-cc-pVDZ.dat
|
Fix # Number Spin Symm comment
|
2019-11-17 17:43:01 +01:00 |
|
water_CCSDT_aug-cc-pVQZ.dat
|
Fix # Number Spin Symm comment
|
2019-11-17 17:43:01 +01:00 |
|
water_CCSDT_aug-cc-pVTZ.dat
|
Fix # Number Spin Symm comment
|
2019-11-17 17:43:01 +01:00 |
|
water_CCSDTQ_aug-cc-pVDZ.dat
|
Fix # Number Spin Symm comment
|
2019-11-17 17:43:01 +01:00 |
|
water_CCSDTQ_aug-cc-pVTZ.dat
|
Fix # Number Spin Symm comment
|
2019-11-17 17:43:01 +01:00 |
|
water_CCSDTQP_aug-cc-pVDZ.dat
|
Fix # Number Spin Symm comment
|
2019-11-17 17:43:01 +01:00 |
|
water_exFCI_aug-cc-pVDZ.dat
|
Fix # Number Spin Symm comment
|
2019-11-17 17:43:01 +01:00 |
|
water_exFCI_aug-cc-pVQZ.dat
|
Fix # Number Spin Symm comment
|
2019-11-17 17:43:01 +01:00 |
|
water_exFCI_aug-cc-pVTZ.dat
|
Fix # Number Spin Symm comment
|
2019-11-17 17:43:01 +01:00 |
|
water_exp.dat
|
Fix # Number Spin Symm comment
|
2019-11-17 17:43:01 +01:00 |
