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QUESTDB_website/static/data/abs
History
Mickaël Véril 41386795e1 Fix point
2019-11-21 10:09:29 +01:00
..
acetaldehyde_CC3_aug-cc-pVDZ.dat
Add data from the first second type tabular
2019-11-19 14:19:45 +01:00
acetaldehyde_CC3_aug-cc-pVTZ.dat
Add data from the first second type tabular
2019-11-19 14:19:45 +01:00
acetaldehyde_CCSDT_aug-cc-pVDZ.dat
Add data from the first second type tabular
2019-11-19 14:19:45 +01:00
acetaldehyde_CCSDT_aug-cc-pVTZ.dat
Add data from the first second type tabular
2019-11-19 14:19:45 +01:00
acetaldehyde_exFCI_aug-cc-pVDZ.dat
Add data from the first second type tabular
2019-11-19 14:19:45 +01:00
acetaldehyde_exFCI_aug-cc-pVTZ.dat
Add data from the first second type tabular
2019-11-19 14:19:45 +01:00
acetaldehyde_exp.dat
Add data from the first second type tabular
2019-11-19 14:19:45 +01:00
acetylene_CC3_aug-cc-pVTZ.dat
Fix # Number Spin Symm comment
2019-11-17 17:43:01 +01:00
acetylene_CCSDT_aug-cc-pVTZ.dat
Fix # Number Spin Symm comment
2019-11-17 17:43:01 +01:00
acetylene_CCSDTQ_aug-cc-pVDZ.dat
Fix # Number Spin Symm comment
2019-11-17 17:43:01 +01:00
acetylene_exFCI_aug-cc-pVDZ.dat
Fix # Number Spin Symm comment
2019-11-17 17:43:01 +01:00
acetylene_exFCI_aug-cc-pVTZ.dat
Fix # Number Spin Symm comment
2019-11-17 17:43:01 +01:00
acetylene_exp.dat
Fix # Number Spin Symm comment
2019-11-17 17:43:01 +01:00
ammonia_CC3_aug-cc-pVDZ.dat
Fix # Number Spin Symm comment
2019-11-17 17:43:01 +01:00
ammonia_CC3_aug-cc-pVQZ.dat
Fix # Number Spin Symm comment
2019-11-17 17:43:01 +01:00
ammonia_CC3_aug-cc-pVTZ.dat
Fix # Number Spin Symm comment
2019-11-17 17:43:01 +01:00
ammonia_CCSDT_aug-cc-pVDZ.dat
Fix # Number Spin Symm comment
2019-11-17 17:43:01 +01:00
ammonia_CCSDT_aug-cc-pVQZ.dat
Fix # Number Spin Symm comment
2019-11-17 17:43:01 +01:00
ammonia_CCSDT_aug-cc-pVTZ.dat
Fix # Number Spin Symm comment
2019-11-17 17:43:01 +01:00
ammonia_CCSDTQ_aug-cc-pVDZ.dat
Fix # Number Spin Symm comment
2019-11-17 17:43:01 +01:00
ammonia_CCSDTQ_aug-cc-pVTZ.dat
Fix # Number Spin Symm comment
2019-11-17 17:43:01 +01:00
ammonia_CCSDTQP_aug-cc-pVDZ.dat
Fix # Number Spin Symm comment
2019-11-17 17:43:01 +01:00
ammonia_exFCI_aug-cc-pVDZ.dat
Fix # Number Spin Symm comment
2019-11-17 17:43:01 +01:00
ammonia_exFCI_aug-cc-pVQZ.dat
Fix # Number Spin Symm comment
2019-11-17 17:43:01 +01:00
ammonia_exFCI_aug-cc-pVTZ.dat
Fix # Number Spin Symm comment
2019-11-17 17:43:01 +01:00
ammonia_exp.dat
Fix # Number Spin Symm comment
2019-11-17 17:43:01 +01:00
carbon_monoxide_CC3_aug-cc-pVQZ.dat
Fix # Number Spin Symm comment
2019-11-17 17:43:01 +01:00
carbon_monoxide_CC3_aug-cc-pVTZ.dat
Fix # Number Spin Symm comment
2019-11-17 17:43:01 +01:00
carbon_monoxide_CCSDT_aug-cc-pVQZ.dat
Fix # Number Spin Symm comment
2019-11-17 17:43:01 +01:00
carbon_monoxide_CCSDT_aug-cc-pVTZ.dat
Fix # Number Spin Symm comment
2019-11-17 17:43:01 +01:00
carbon_monoxide_CCSDTQ_aug-cc-pVDZ.dat
Fix # Number Spin Symm comment
2019-11-17 17:43:01 +01:00
carbon_monoxide_CCSDTQ_aug-cc-pVTZ.dat
Fix # Number Spin Symm comment
2019-11-17 17:43:01 +01:00
carbon_monoxide_CCSDTQP_aug-cc-pVDZ.dat
Fix # Number Spin Symm comment
2019-11-17 17:43:01 +01:00
carbon_monoxide_exFCI_aug-cc-pVDZ.dat
Fix # Number Spin Symm comment
2019-11-17 17:43:01 +01:00
carbon_monoxide_exFCI_aug-cc-pVQZ.dat
Fix # Number Spin Symm comment
2019-11-17 17:43:01 +01:00
carbon_monoxide_exFCI_aug-cc-pVTZ.dat
Fix # Number Spin Symm comment
2019-11-17 17:43:01 +01:00
carbon_monoxide_exp..dat
Fix # Number Spin Symm comment
2019-11-17 17:43:01 +01:00
cyclopropene_CC3_aug-cc-pVDZ.dat
Add data from the first second type tabular
2019-11-19 14:19:45 +01:00
cyclopropene_CC3_aug-cc-pVTZ.dat
Add data from the first second type tabular
2019-11-19 14:19:45 +01:00
cyclopropene_CCSDT_aug-cc-pVDZ.dat
Add data from the first second type tabular
2019-11-19 14:19:45 +01:00
cyclopropene_CCSDT_aug-cc-pVTZ.dat
Add data from the first second type tabular
2019-11-19 14:19:45 +01:00
cyclopropene_exFCI_aug-cc-pVDZ.dat
Add data from the first second type tabular
2019-11-19 14:19:45 +01:00
cyclopropene_exFCI_aug-cc-pVTZ.dat
Add data from the first second type tabular
2019-11-19 14:19:45 +01:00
cyclopropene_exp.dat
Add data from the first second type tabular
2019-11-19 14:19:45 +01:00
diazomethane_CC3_aug-cc-pVDZ.dat
Add data from the first second type tabular
2019-11-19 14:19:45 +01:00
diazomethane_CC3_aug-cc-pVTZ.dat
Add data from the first second type tabular
2019-11-19 14:19:45 +01:00
diazomethane_CCSDT_aug-cc-pVDZ.dat
Add data from the first second type tabular
2019-11-19 14:19:45 +01:00
diazomethane_CCSDT_aug-cc-pVTZ.dat
Add data from the first second type tabular
2019-11-19 14:19:45 +01:00
diazomethane_exFCI_aug-cc-pVDZ.dat
Add data from the first second type tabular
2019-11-19 14:19:45 +01:00
diazomethane_exFCI_aug-cc-pVTZ.dat
Add data from the first second type tabular
2019-11-19 14:19:45 +01:00
diazomethane_exp.dat
Add data from the first second type tabular
2019-11-19 14:19:45 +01:00
dinitrogen_CC3_aug-cc-pVQZ.dat
Fix # Number Spin Symm comment
2019-11-17 17:43:01 +01:00
dinitrogen_CC3_aug-cc-pVTZ.dat
Fix # Number Spin Symm comment
2019-11-17 17:43:01 +01:00
dinitrogen_CCSDT_aug-cc-pVQZ.dat
Fix # Number Spin Symm comment
2019-11-17 17:43:01 +01:00
dinitrogen_CCSDT_aug-cc-pVTZ.dat
Fix # Number Spin Symm comment
2019-11-17 17:43:01 +01:00
dinitrogen_CCSDTQ_aug-cc-pVDZ.dat
Fix # Number Spin Symm comment
2019-11-17 17:43:01 +01:00
dinitrogen_CCSDTQ_aug-cc-pVTZ.dat
Fix # Number Spin Symm comment
2019-11-17 17:43:01 +01:00
dinitrogen_CCSDTQP_aug-cc-pVDZ.dat
Fix # Number Spin Symm comment
2019-11-17 17:43:01 +01:00
dinitrogen_exFCI_aug-cc-pVDZ.dat
Fix # Number Spin Symm comment
2019-11-17 17:43:01 +01:00
dinitrogen_exFCI_aug-cc-pVQZ.dat
Fix # Number Spin Symm comment
2019-11-17 17:43:01 +01:00
dinitrogen_exFCI_aug-cc-pVTZ.dat
Fix # Number Spin Symm comment
2019-11-17 17:43:01 +01:00
dinitrogen_exp.dat
Fix point
2019-11-21 10:09:29 +01:00
ethylene_CC3_aug-cc-pVTZ.dat
Fix # Number Spin Symm comment
2019-11-17 17:43:01 +01:00
ethylene_CCSDT_aug-cc-pVTZ.dat
Fix # Number Spin Symm comment
2019-11-17 17:43:01 +01:00
ethylene_CCSDTQ_aug-cc-pVDZ.dat
Fix # Number Spin Symm comment
2019-11-17 17:43:01 +01:00
ethylene_exFCI_aug-cc-pVDZ.dat
Fix # Number Spin Symm comment
2019-11-17 17:43:01 +01:00
ethylene_exFCI_aug-cc-pVTZ.dat
Fix # Number Spin Symm comment
2019-11-17 17:43:01 +01:00
ethylene_exp..dat
Fix # Number Spin Symm comment
2019-11-17 17:43:01 +01:00
formaldehyde_CC3_aug-cc-pVTZ.dat
Fix # Number Spin Symm comment
2019-11-17 17:43:01 +01:00
formaldehyde_CCSDT_aug-cc-pVTZ.dat
Fix # Number Spin Symm comment
2019-11-17 17:43:01 +01:00
formaldehyde_CCSDTQ_aug-cc-pVDZ.dat
Fix # Number Spin Symm comment
2019-11-17 17:43:01 +01:00
formaldehyde_exFCI_aug-cc-pVDZ.dat
Fix # Number Spin Symm comment
2019-11-17 17:43:01 +01:00
formaldehyde_exFCI_aug-cc-pVTZ.dat
Fix # Number Spin Symm comment
2019-11-17 17:43:01 +01:00
formaldehyde_exp..dat
Fix # Number Spin Symm comment
2019-11-17 17:43:01 +01:00
formamide_CC3_aug-cc-pVDZ.dat
Add data from the first second type tabular
2019-11-19 14:19:45 +01:00
formamide_CC3_aug-cc-pVTZ.dat
Add data from the first second type tabular
2019-11-19 14:19:45 +01:00
formamide_CCSDT_aug-cc-pVDZ.dat
Add data from the first second type tabular
2019-11-19 14:19:45 +01:00
formamide_CCSDT_aug-cc-pVTZ.dat
Add data from the first second type tabular
2019-11-19 14:19:45 +01:00
formamide_exFCI_aug-cc-pVDZ.dat
Add data from the first second type tabular
2019-11-19 14:19:45 +01:00
formamide_exFCI_aug-cc-pVTZ.dat
Add data from the first second type tabular
2019-11-19 14:19:45 +01:00
formamide_exp.dat
Add data from the first second type tabular
2019-11-19 14:19:45 +01:00
hydrogen_chloride_CC3_aug-cc-pVDZ.dat
Fix # Number Spin Symm comment
2019-11-17 17:43:01 +01:00
hydrogen_chloride_CC3_aug-cc-pVQZ.dat
Fix # Number Spin Symm comment
2019-11-17 17:43:01 +01:00
hydrogen_chloride_CC3_aug-cc-pVTZ.dat
Fix # Number Spin Symm comment
2019-11-17 17:43:01 +01:00
hydrogen_chloride_CCSDT_aug-cc-pVDZ.dat
Fix # Number Spin Symm comment
2019-11-17 17:43:01 +01:00
hydrogen_chloride_CCSDT_aug-cc-pVQZ.dat
Fix # Number Spin Symm comment
2019-11-17 17:43:01 +01:00
hydrogen_chloride_CCSDT_aug-cc-pVTZ.dat
Fix # Number Spin Symm comment
2019-11-17 17:43:01 +01:00
hydrogen_chloride_CCSDTQ_aug-cc-pVDZ.dat
Fix # Number Spin Symm comment
2019-11-17 17:43:01 +01:00
hydrogen_chloride_CCSDTQ_aug-cc-pVTZ.dat
Fix # Number Spin Symm comment
2019-11-17 17:43:01 +01:00
hydrogen_chloride_CCSDTQP_aug-cc-pVDZ.dat
Fix # Number Spin Symm comment
2019-11-17 17:43:01 +01:00
hydrogen_chloride_exFCI_aug-cc-pVDZ.dat
Fix # Number Spin Symm comment
2019-11-17 17:43:01 +01:00
hydrogen_chloride_exFCI_aug-cc-pVQZ.dat
Fix # Number Spin Symm comment
2019-11-17 17:43:01 +01:00
hydrogen_chloride_exFCI_aug-cc-pVTZ.dat
Fix # Number Spin Symm comment
2019-11-17 17:43:01 +01:00
hydrogen_sulfide_CC3_aug-cc-pVDZ.dat
Fix # Number Spin Symm comment
2019-11-17 17:43:01 +01:00
hydrogen_sulfide_CC3_aug-cc-pVQZ.dat
Fix # Number Spin Symm comment
2019-11-17 17:43:01 +01:00
hydrogen_sulfide_CC3_aug-cc-pVTZ.dat
Fix # Number Spin Symm comment
2019-11-17 17:43:01 +01:00
hydrogen_sulfide_CCSDT_aug-cc-pVDZ.dat
Fix # Number Spin Symm comment
2019-11-17 17:43:01 +01:00
hydrogen_sulfide_CCSDT_aug-cc-pVQZ.dat
Fix # Number Spin Symm comment
2019-11-17 17:43:01 +01:00
hydrogen_sulfide_CCSDT_aug-cc-pVTZ.dat
Fix # Number Spin Symm comment
2019-11-17 17:43:01 +01:00
hydrogen_sulfide_CCSDTQ_aug-cc-pVDZ.dat
Fix # Number Spin Symm comment
2019-11-17 17:43:01 +01:00
hydrogen_sulfide_CCSDTQ_aug-cc-pVTZ.dat
Fix # Number Spin Symm comment
2019-11-17 17:43:01 +01:00
hydrogen_sulfide_CCSDTQP_aug-cc-pVDZ.dat
Fix # Number Spin Symm comment
2019-11-17 17:43:01 +01:00
hydrogen_sulfide_exFCI_aug-cc-pVDZ.dat
Fix # Number Spin Symm comment
2019-11-17 17:43:01 +01:00
hydrogen_sulfide_exFCI_aug-cc-pVQZ.dat
Fix # Number Spin Symm comment
2019-11-17 17:43:01 +01:00
hydrogen_sulfide_exFCI_aug-cc-pVTZ.dat
Fix # Number Spin Symm comment
2019-11-17 17:43:01 +01:00
hydrogen_sulfide_exp.dat
Fix # Number Spin Symm comment
2019-11-17 17:43:01 +01:00
ketene_CC3_aug-cc-pVDZ.dat
Add data from the first second type tabular
2019-11-19 14:19:45 +01:00
ketene_CC3_aug-cc-pVTZ.dat
Add data from the first second type tabular
2019-11-19 14:19:45 +01:00
ketene_CCSDT_aug-cc-pVDZ.dat
Add data from the first second type tabular
2019-11-19 14:19:45 +01:00
ketene_CCSDT_aug-cc-pVTZ.dat
Add data from the first second type tabular
2019-11-19 14:19:45 +01:00
ketene_exFCI_aug-cc-pVDZ.dat
Add data from the first second type tabular
2019-11-19 14:19:45 +01:00
ketene_exFCI_aug-cc-pVTZ.dat
Add data from the first second type tabular
2019-11-19 14:19:45 +01:00
ketene_exp.dat
Add data from the first second type tabular
2019-11-19 14:19:45 +01:00
methanimine_CC3_aug-cc-pVTZ.dat
Add methanimine data
2019-11-18 10:42:51 +01:00
methanimine_CCSDT_aug-cc-pVTZ.dat
Add methanimine data
2019-11-18 10:42:51 +01:00
methanimine_CCSDTQ_aug-cc-pVDZ.dat
Add methanimine data
2019-11-18 10:42:51 +01:00
methanimine_exFCI_aug-cc-pVDZ.dat
Add methanimine data
2019-11-18 10:42:51 +01:00
methanimine_exFCI_aug-cc-pVTZ.dat
Add methanimine data
2019-11-18 10:42:51 +01:00
nitrosomethane_CC3_aug-cc-pVDZ.dat
Add data from the first second type tabular
2019-11-19 14:19:45 +01:00
nitrosomethane_CC3_aug-cc-pVTZ.dat
Add data from the first second type tabular
2019-11-19 14:19:45 +01:00
nitrosomethane_CCSDT_aug-cc-pVDZ.dat
Add data from the first second type tabular
2019-11-19 14:19:45 +01:00
nitrosomethane_CCSDT_aug-cc-pVTZ.dat
Add data from the first second type tabular
2019-11-19 14:19:45 +01:00
nitrosomethane_exFCI_aug-cc-pVDZ.dat
Add data from the first second type tabular
2019-11-19 14:19:45 +01:00
nitrosomethane_exFCI_aug-cc-pVTZ.dat
Add data from the first second type tabular
2019-11-19 14:19:45 +01:00
nitrosomethane_exp.dat
Add data from the first second type tabular
2019-11-19 14:19:45 +01:00
thioformaldehyde_CC3_aug-cc-pVTZ.dat
Add thioformaldehyde data
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
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