| .. |
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acetylene_ADC(2)_aug-cc-pVTZ.dat
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Fix missing code
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2020-01-29 17:20:34 +01:00 |
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acetylene_ADC(3)_aug-cc-pVTZ.dat
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Fix missing code
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2020-01-29 17:20:34 +01:00 |
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acetylene_CC2_aug-cc-pVTZ.dat
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Fix missing code
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2020-01-29 17:20:34 +01:00 |
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acetylene_CC3_aug-cc-pVDZ.dat
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Fix significative figures in datafiles
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2020-02-03 13:26:26 +01:00 |
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acetylene_CC3_aug-cc-pVTZ.dat
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Add code
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2020-01-29 17:20:34 +01:00 |
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acetylene_CC3(FC)_aug-cc-pVDZ.dat
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Add code for new CC3 files
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2020-01-29 17:20:34 +01:00 |
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acetylene_CC3(FC)_aug-cc-pVQZ.dat
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Add code for new CC3 files
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2020-01-29 17:20:34 +01:00 |
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acetylene_CC3(FC)_aug-cc-pVTZ.dat
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Add code for new CC3 files
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2020-01-29 17:20:34 +01:00 |
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acetylene_CC3(FC)_d-aug-cc-pVQZ.dat
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Add code for new CC3 files
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2020-01-29 17:20:34 +01:00 |
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acetylene_CC3(Full)_aug-cc-pV5Z.dat
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Add code for new CC3 files
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2020-01-29 17:20:34 +01:00 |
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acetylene_CC3(Full)_aug-cc-pVQZ.dat
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Add code for new CC3 files
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2020-01-29 17:20:34 +01:00 |
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acetylene_CC3(Full)_d-aug-cc-pV5Z.dat
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Add code for new CC3 files
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2020-01-29 17:20:34 +01:00 |
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acetylene_CC3(Full)_d-aug-cc-pVQZ.dat
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Add code for new CC3 files
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2020-01-29 17:20:34 +01:00 |
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acetylene_CCSD_aug-cc-pVTZ.dat
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Fix missing code
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2020-01-29 17:20:34 +01:00 |
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acetylene_CCSDR(3)_aug-cc-pVTZ.dat
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Fix filenames in fluo
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2020-02-03 17:47:19 +01:00 |
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acetylene_CCSDT_aug-cc-pVDZ.dat
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Add code
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2020-01-29 17:20:34 +01:00 |
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acetylene_CCSDT_aug-cc-pVTZ.dat
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Add code
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2020-01-29 17:20:34 +01:00 |
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acetylene_CCSDT-3_aug-cc-pVTZ.dat
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Fix missing code
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2020-01-29 17:20:34 +01:00 |
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acetylene_CCSDTQ_aug-cc-pVDZ.dat
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Fix significative figures in datafiles
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2020-02-03 13:26:26 +01:00 |
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acetylene_CCSDTQ_aug-cc-pVTZ.dat
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Fix missing code
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2020-01-29 17:20:34 +01:00 |
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acetylene_CIS(D-infty)_aug-cc-pVTZ.dat
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Fix missing code
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2020-01-29 17:20:34 +01:00 |
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acetylene_CIS(D)_aug-cc-pVTZ.dat
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Fix missing code
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2020-01-29 17:20:34 +01:00 |
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acetylene_CIS(D∞)_aug-cc-pVTZ.dat
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Add geometry and DOI
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2020-02-15 17:43:30 +01:00 |
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acetylene_exFCI_aug-cc-pVDZ.dat
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Add code
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2020-01-29 17:20:34 +01:00 |
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acetylene_exFCI_aug-cc-pVTZ.dat
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Add code
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2020-01-29 17:20:34 +01:00 |
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acetylene_STEOM-CCSD_aug-cc-pVTZ.dat
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Fix filenames in fluo
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2020-02-03 17:47:19 +01:00 |
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acetylene_TBE_CBS.dat
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Fix filenames in fluo
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2020-02-03 17:47:19 +01:00 |
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acetylene_TBE(FC)_aug-cc-pVTZ.dat
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Add geometry and DOI
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2020-02-15 17:43:30 +01:00 |
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acetylene_TBE(FC).dat
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Rename and fix TBE and TBE(FC)
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2020-01-29 17:20:34 +01:00 |
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cyanoacetylene_CC3_6-31+G(d).dat
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Add missing geometry and code
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2020-02-17 11:34:19 +01:00 |
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cyanoacetylene_CC3_aug-cc-pVDZ.dat
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Add missing geometry and code
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2020-02-17 11:34:19 +01:00 |
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cyanoacetylene_CC3_aug-cc-pVQZ.dat
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Add missing geometry and code
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2020-02-17 11:34:19 +01:00 |
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cyanoacetylene_CC3_aug-cc-pVTZ.dat
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Add missing geometry and code
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2020-02-17 11:34:19 +01:00 |
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cyanoacetylene_CC3(FC)_6-31+G(d).dat
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Add cyanoacetylene
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2020-02-17 11:34:20 +01:00 |
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cyanoacetylene_CC3(FC)_aug-cc-pVDZ.dat
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Add cyanoacetylene
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2020-02-17 11:34:20 +01:00 |
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cyanoacetylene_CC3(FC)_aug-cc-pVQZ.dat
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Add cyanoacetylene
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2020-02-17 11:34:20 +01:00 |
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cyanoacetylene_CC3(FC)_aug-cc-pVTZ.dat
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Add cyanoacetylene
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2020-02-17 11:34:20 +01:00 |
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cyanoacetylene_CC3(Full)_aug-cc-pVQZ.dat
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Add cyanoacetylene
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2020-02-17 11:34:20 +01:00 |
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cyanoacetylene_CCSDT_6-31+G(d).dat
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Add missing geometry and code
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2020-02-17 11:34:19 +01:00 |
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cyanoacetylene_CCSDT_aug-cc-pVDZ.dat
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Add missing geometry and code
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2020-02-17 11:34:19 +01:00 |
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cyanoacetylene_CCSDT_aug-cc-pVTZ.dat
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Add missing geometry and code
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2020-02-17 11:34:19 +01:00 |
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cyanoacetylene_CCSDTQ_6-31+G(d).dat
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Add missing geometry and code
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2020-02-17 11:34:19 +01:00 |
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cyanoacetylene_CCSDTQ_aug-cc-pVDZ.dat
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Add missing geometry and code
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2020-02-17 11:34:19 +01:00 |
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cyanoacetylene_FCI_6-31+G(d).dat
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Add missing geometry and code
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2020-02-17 11:34:19 +01:00 |
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cyanoacetylene_FCI_aug-cc-pVDZ.dat
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Add missing geometry and code
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2020-02-17 11:34:19 +01:00 |
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cyanoacetylene_NEVPT2_aug-cc-pVTZ.dat
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Add missing geometry and code
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2020-02-17 11:34:19 +01:00 |
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cyanoacetylene_TBE.dat
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Add DOI for TBE
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2020-02-17 11:34:19 +01:00 |
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cyanoacetylene_TBE(FC).dat
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Add DOI for TBE
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2020-02-17 11:34:19 +01:00 |
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cyanogen_CC3_6-31+G(d).dat
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Add missing geometry and code
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2020-02-17 11:34:19 +01:00 |
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cyanogen_CC3_aug-cc-pV5Z.dat
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Add missing geometry and code
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2020-02-17 11:34:19 +01:00 |
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cyanogen_CC3_aug-cc-pVDZ.dat
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Add missing geometry and code
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2020-02-17 11:34:19 +01:00 |
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cyanogen_CC3_aug-cc-pVQZ.dat
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Add missing geometry and code
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2020-02-17 11:34:19 +01:00 |
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cyanogen_CC3_aug-cc-pVTZ.dat
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Add missing geometry and code
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2020-02-17 11:34:19 +01:00 |
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cyanogen_CC3(FC)_6-31+G(d).dat
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Add cyanogen
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2020-02-17 11:34:20 +01:00 |
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cyanogen_CC3(FC)_aug-cc-pV5Z.dat
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Add cyanogen
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2020-02-17 11:34:20 +01:00 |
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cyanogen_CC3(FC)_aug-cc-pVDZ.dat
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Add cyanogen
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2020-02-17 11:34:20 +01:00 |
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cyanogen_CC3(FC)_aug-cc-pVQZ.dat
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Add cyanogen
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2020-02-17 11:34:20 +01:00 |
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cyanogen_CC3(FC)_aug-cc-pVTZ.dat
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Add cyanogen
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2020-02-17 11:34:20 +01:00 |
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cyanogen_CC3(FC)_d-aug-cc-pVQZ.dat
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Add cyanogen
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2020-02-17 11:34:20 +01:00 |
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cyanogen_CC3(Full)_aug-cc-pVQZ.dat
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Add cyanogen
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2020-02-17 11:34:20 +01:00 |
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cyanogen_CC3(Full)_d-aug-cc-pVQZ.dat
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Add cyanogen
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2020-02-17 11:34:20 +01:00 |
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cyanogen_CCSDT_6-31+G(d).dat
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Add missing geometry and code
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2020-02-17 11:34:19 +01:00 |
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cyanogen_CCSDT_aug-cc-pVDZ.dat
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Add missing geometry and code
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2020-02-17 11:34:19 +01:00 |
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cyanogen_CCSDT_aug-cc-pVTZ.dat
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Add missing geometry and code
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2020-02-17 11:34:19 +01:00 |
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cyanogen_CCSDTQ_6-31+G(d).dat
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Add missing geometry and code
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2020-02-17 11:34:19 +01:00 |
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cyanogen_CCSDTQ_aug-cc-pVDZ.dat
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Add missing geometry and code
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2020-02-17 11:34:19 +01:00 |
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cyanogen_FCI_6-31+G(d).dat
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Add missing geometry and code
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2020-02-17 11:34:19 +01:00 |
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cyanogen_FCI_aug-cc-pVDZ.dat
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Add missing geometry and code
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2020-02-17 11:34:19 +01:00 |
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cyanogen_NEVPT2_aug-cc-pVTZ.dat
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Add missing geometry and code
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2020-02-17 11:34:19 +01:00 |
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cyanogen_TBE.dat
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Add DOI for TBE
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2020-02-17 11:34:19 +01:00 |
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cyanogen_TBE(FC).dat
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Add DOI for TBE
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2020-02-17 11:34:19 +01:00 |
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diazomethane_ADC(2)_aug-cc-pVTZ.dat
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Fix missing code
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2020-01-29 17:20:34 +01:00 |
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diazomethane_ADC(3)_aug-cc-pVTZ.dat
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Fix missing code
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2020-01-29 17:20:34 +01:00 |
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diazomethane_CC2_aug-cc-pVTZ.dat
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Fix missing code
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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 code
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2020-01-29 17:20:34 +01:00 |
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diazomethane_CC3_aug-cc-pVTZ.dat
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Add code
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2020-01-29 17:20:34 +01:00 |
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diazomethane_CC3(FC)_aug-cc-pVDZ.dat
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Add code for new CC3 files
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2020-01-29 17:20:34 +01:00 |
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diazomethane_CC3(FC)_aug-cc-pVQZ.dat
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Add code for new CC3 files
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2020-01-29 17:20:34 +01:00 |
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diazomethane_CC3(FC)_aug-cc-pVTZ.dat
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Add code for new CC3 files
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2020-01-29 17:20:34 +01:00 |
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diazomethane_CC3(Full)_aug-cc-pVQZ.dat
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Add code for new CC3 files
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2020-01-29 17:20:34 +01:00 |
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diazomethane_CC3(Full)_d-aug-cc-pVQZ.dat
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Add code for new CC3 files
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2020-01-29 17:20:34 +01:00 |
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diazomethane_CCSD_aug-cc-pVTZ.dat
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Fix missing code
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2020-01-29 17:20:34 +01:00 |
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diazomethane_CCSDR(3)_aug-cc-pVTZ.dat
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Fix filenames in fluo
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2020-02-03 17:47:19 +01:00 |
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diazomethane_CCSDT_aug-cc-pVDZ.dat
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Add code
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2020-01-29 17:20:34 +01:00 |
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diazomethane_CCSDT_aug-cc-pVTZ.dat
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Add code
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2020-01-29 17:20:34 +01:00 |
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diazomethane_CCSDT-3_aug-cc-pVTZ.dat
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Fix missing code
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2020-01-29 17:20:34 +01:00 |
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diazomethane_CIS(D-infty)_aug-cc-pVTZ.dat
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Fix missing code
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2020-01-29 17:20:34 +01:00 |
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diazomethane_CIS(D)_aug-cc-pVTZ.dat
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Fix missing code
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2020-01-29 17:20:34 +01:00 |
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diazomethane_CIS(D∞)_aug-cc-pVTZ.dat
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Add geometry and DOI
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2020-02-15 17:43:30 +01:00 |
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diazomethane_exFCI_aug-cc-pVDZ.dat
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Add code
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2020-01-29 17:20:34 +01:00 |
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diazomethane_exFCI_aug-cc-pVTZ.dat
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Add code
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2020-01-29 17:20:34 +01:00 |
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diazomethane_STEOM-CCSD_aug-cc-pVTZ.dat
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Fix filenames in fluo
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2020-02-03 17:47:19 +01:00 |
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diazomethane_TBE_CBS.dat
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Fix filenames in fluo
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2020-02-03 17:47:19 +01:00 |
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diazomethane_TBE(FC)_aug-cc-pVTZ.dat
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Add geometry and DOI
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2020-02-15 17:43:30 +01:00 |
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diazomethane_TBE(FC).dat
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Rename and fix TBE and TBE(FC)
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2020-01-29 17:20:34 +01:00 |
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formaldehyde_ADC(2)_aug-cc-pVTZ.dat
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Fix missing code
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2020-01-29 17:20:34 +01:00 |
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formaldehyde_ADC(3)_aug-cc-pVTZ.dat
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Fix missing code
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2020-01-29 17:20:34 +01:00 |
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formaldehyde_CC2_aug-cc-pVTZ.dat
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Fix missing code
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2020-01-29 17:20:34 +01:00 |
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formaldehyde_CC3_aug-cc-pVDZ.dat
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Add code
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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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Add code
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2020-01-29 17:20:34 +01:00 |
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formaldehyde_CC3(FC)_aug-cc-pVDZ.dat
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Add code for new CC3 files
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2020-01-29 17:20:34 +01:00 |
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formaldehyde_CC3(FC)_aug-cc-pVQZ.dat
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Add code for new CC3 files
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2020-01-29 17:20:34 +01:00 |
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formaldehyde_CC3(FC)_aug-cc-pVTZ.dat
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Add code for new CC3 files
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2020-01-29 17:20:34 +01:00 |
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formaldehyde_CC3(FC)_d-aug-cc-pVQZ.dat
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Add code for new CC3 files
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2020-01-29 17:20:34 +01:00 |
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formaldehyde_CC3(Full)_aug-cc-pV5Z.dat
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Add code for new CC3 files
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2020-01-29 17:20:34 +01:00 |
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formaldehyde_CC3(Full)_aug-cc-pVQZ.dat
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Add code for new CC3 files
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2020-01-29 17:20:34 +01:00 |
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formaldehyde_CC3(Full)_d-aug-cc-pV5Z.dat
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Add code for new CC3 files
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2020-01-29 17:20:34 +01:00 |
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formaldehyde_CC3(Full)_d-aug-cc-pVQZ.dat
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Add code for new CC3 files
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2020-01-29 17:20:34 +01:00 |
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formaldehyde_CCSD_aug-cc-pVTZ.dat
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Fix missing code
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2020-01-29 17:20:34 +01:00 |
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formaldehyde_CCSDR(3)_aug-cc-pVTZ.dat
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Fix filenames in fluo
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2020-02-03 17:47:19 +01:00 |
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formaldehyde_CCSDT_aug-cc-pVDZ.dat
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Add code
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2020-01-29 17:20:34 +01:00 |
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formaldehyde_CCSDT_aug-cc-pVTZ.dat
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Add code
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2020-01-29 17:20:34 +01:00 |
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formaldehyde_CCSDT-3_aug-cc-pVTZ.dat
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Fix missing code
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2020-01-29 17:20:34 +01:00 |
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formaldehyde_CCSDTQ_aug-cc-pVDZ.dat
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Add code
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2020-01-29 17:20:34 +01:00 |
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formaldehyde_CCSDTQ_aug-cc-pVTZ.dat
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Fix missing code
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2020-01-29 17:20:34 +01:00 |
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formaldehyde_CIS(D-infty)_aug-cc-pVTZ.dat
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Fix missing code
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2020-01-29 17:20:34 +01:00 |
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formaldehyde_CIS(D)_aug-cc-pVTZ.dat
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Fix missing code
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2020-01-29 17:20:34 +01:00 |
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formaldehyde_CIS(D∞)_aug-cc-pVTZ.dat
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Add geometry and DOI
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2020-02-15 17:43:30 +01:00 |
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formaldehyde_exFCI_aug-cc-pVDZ.dat
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Add code
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2020-01-29 17:20:34 +01:00 |
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formaldehyde_exFCI_aug-cc-pVTZ.dat
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Fix significative figures in datafiles
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2020-02-03 13:26:26 +01:00 |
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formaldehyde_STEOM-CCSD_aug-cc-pVTZ.dat
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Fix filenames in fluo
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2020-02-03 17:47:19 +01:00 |
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formaldehyde_TBE_CBS.dat
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Fix filenames in fluo
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2020-02-03 17:47:19 +01:00 |
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formaldehyde_TBE(FC)_aug-cc-pVTZ.dat
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Add geometry and DOI
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2020-02-15 17:43:30 +01:00 |
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formaldehyde_TBE(FC).dat
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Rename and fix TBE and TBE(FC)
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2020-01-29 17:20:34 +01:00 |
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ketene_ADC(2)_aug-cc-pVTZ.dat
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Fix missing code
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2020-01-29 17:20:34 +01:00 |
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ketene_ADC(3)_aug-cc-pVTZ.dat
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Fix missing code
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2020-01-29 17:20:34 +01:00 |
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ketene_CC2_aug-cc-pVTZ.dat
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Fix missing code
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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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Fix significative figures in datafiles
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2020-02-03 13:26:26 +01:00 |
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ketene_CC3_aug-cc-pVTZ.dat
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Fix significative figures in datafiles
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2020-02-03 13:26:26 +01:00 |
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ketene_CC3(FC)_aug-cc-pVDZ.dat
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Add code for new CC3 files
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2020-01-29 17:20:34 +01:00 |
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ketene_CC3(FC)_aug-cc-pVQZ.dat
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Add code for new CC3 files
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2020-01-29 17:20:34 +01:00 |
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ketene_CC3(FC)_aug-cc-pVTZ.dat
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Add code for new CC3 files
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2020-01-29 17:20:34 +01:00 |
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ketene_CC3(Full)_aug-cc-pVQZ.dat
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Add code for new CC3 files
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2020-01-29 17:20:34 +01:00 |
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ketene_CC3(Full)_d-aug-cc-pVQZ.dat
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Add code for new CC3 files
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2020-01-29 17:20:34 +01:00 |
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ketene_CCSD_aug-cc-pVTZ.dat
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Fix missing code
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2020-01-29 17:20:34 +01:00 |
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ketene_CCSDR(3)_aug-cc-pVTZ.dat
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Fix filenames in fluo
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2020-02-03 17:47:19 +01:00 |
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ketene_CCSDT_aug-cc-pVDZ.dat
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Add code
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2020-01-29 17:20:34 +01:00 |
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ketene_CCSDT_aug-cc-pVTZ.dat
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Fix significative figures in datafiles
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2020-02-03 13:26:26 +01:00 |
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ketene_CCSDT-3_aug-cc-pVTZ.dat
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Fix missing code
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2020-01-29 17:20:34 +01:00 |
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ketene_CIS(D-infty)_aug-cc-pVTZ.dat
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Fix missing code
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2020-01-29 17:20:34 +01:00 |
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ketene_CIS(D)_aug-cc-pVTZ.dat
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Fix missing code
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2020-01-29 17:20:34 +01:00 |
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ketene_CIS(D∞)_aug-cc-pVTZ.dat
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Add geometry and DOI
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2020-02-15 17:43:30 +01:00 |
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ketene_exFCI_aug-cc-pVDZ.dat
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Add code
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2020-01-29 17:20:34 +01:00 |
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ketene_exFCI_aug-cc-pVTZ.dat
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Fix significative figures in datafiles
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2020-02-03 13:26:26 +01:00 |
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ketene_STEOM-CCSD_aug-cc-pVTZ.dat
|
Fix filenames in fluo
|
2020-02-03 17:47:19 +01:00 |
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ketene_TBE_CBS.dat
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Fix filenames in fluo
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2020-02-03 17:47:19 +01:00 |
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ketene_TBE(FC)_aug-cc-pVTZ.dat
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Add geometry and DOI
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2020-02-15 17:43:30 +01:00 |
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ketene_TBE(FC).dat
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Rename and fix TBE and TBE(FC)
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2020-01-29 17:20:34 +01:00 |
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nitrosomethane_ADC(2)_aug-cc-pVTZ.dat
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Fix missing code
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2020-01-29 17:20:34 +01:00 |
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nitrosomethane_ADC(3)_aug-cc-pVTZ.dat
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Fix missing code
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2020-01-29 17:20:34 +01:00 |
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nitrosomethane_CC2_aug-cc-pVTZ.dat
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Fix missing code
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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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Fix significative figures in datafiles
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2020-02-03 13:26:26 +01:00 |
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nitrosomethane_CC3_aug-cc-pVTZ.dat
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Add code
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2020-01-29 17:20:34 +01:00 |
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nitrosomethane_CC3(FC)_aug-cc-pVDZ.dat
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Add code for new CC3 files
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2020-01-29 17:20:34 +01:00 |
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nitrosomethane_CC3(FC)_aug-cc-pVQZ.dat
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Add code for new CC3 files
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2020-01-29 17:20:34 +01:00 |
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nitrosomethane_CC3(FC)_aug-cc-pVTZ.dat
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Add code for new CC3 files
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2020-01-29 17:20:34 +01:00 |
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nitrosomethane_CC3(Full)_aug-cc-pVQZ.dat
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Add code for new CC3 files
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2020-01-29 17:20:34 +01:00 |
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nitrosomethane_CCSD_aug-cc-pVTZ.dat
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Fix missing code
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2020-01-29 17:20:34 +01:00 |
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nitrosomethane_CCSDR(3)_aug-cc-pVTZ.dat
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Fix filenames in fluo
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2020-02-03 17:47:19 +01:00 |
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nitrosomethane_CCSDT_aug-cc-pVDZ.dat
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Add code
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2020-01-29 17:20:34 +01:00 |
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nitrosomethane_CCSDT_aug-cc-pVTZ.dat
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Add code
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2020-01-29 17:20:34 +01:00 |
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nitrosomethane_CCSDT-3_aug-cc-pVTZ.dat
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Fix missing code
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2020-01-29 17:20:34 +01:00 |
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nitrosomethane_CIS(D-infty)_aug-cc-pVTZ.dat
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Fix missing code
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2020-01-29 17:20:34 +01:00 |
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nitrosomethane_CIS(D)_aug-cc-pVTZ.dat
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Fix missing code
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2020-01-29 17:20:34 +01:00 |
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nitrosomethane_CIS(D∞)_aug-cc-pVTZ.dat
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Add geometry and DOI
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2020-02-15 17:43:30 +01:00 |
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nitrosomethane_exFCI_aug-cc-pVDZ.dat
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Fix significative figures in datafiles
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2020-02-03 13:26:26 +01:00 |
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nitrosomethane_exFCI_aug-cc-pVTZ.dat
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Add code
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2020-01-29 17:20:34 +01:00 |
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nitrosomethane_STEOM-CCSD_aug-cc-pVTZ.dat
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Fix filenames in fluo
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2020-02-03 17:47:19 +01:00 |
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nitrosomethane_TBE_CBS.dat
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Fix filenames in fluo
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2020-02-03 17:47:19 +01:00 |
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nitrosomethane_TBE(FC)_aug-cc-pVTZ.dat
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Add geometry and DOI
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2020-02-15 17:43:30 +01:00 |
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nitrosomethane_TBE(FC).dat
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Rename and fix TBE and TBE(FC)
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2020-01-29 17:20:34 +01:00 |
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thioformaldehyde_ADC(2)_aug-cc-pVTZ.dat
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Fix missing code
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2020-01-29 17:20:34 +01:00 |
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thioformaldehyde_ADC(3)_aug-cc-pVTZ.dat
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Fix missing code
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2020-01-29 17:20:34 +01:00 |
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thioformaldehyde_CC2_aug-cc-pVTZ.dat
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Fix missing code
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2020-01-29 17:20:34 +01:00 |
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thioformaldehyde_CC3_aug-cc-pVDZ.dat
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Fix significative figures in datafiles
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2020-02-03 13:26:26 +01:00 |
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thioformaldehyde_CC3_aug-cc-pVTZ.dat
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Add code
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2020-01-29 17:20:34 +01:00 |
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thioformaldehyde_CC3(FC)_aug-cc-pVDZ.dat
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Add code for new CC3 files
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2020-01-29 17:20:34 +01:00 |
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thioformaldehyde_CC3(FC)_aug-cc-pVQZ.dat
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Add code for new CC3 files
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2020-01-29 17:20:34 +01:00 |
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thioformaldehyde_CC3(FC)_aug-cc-pVTZ.dat
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Add code for new CC3 files
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2020-01-29 17:20:34 +01:00 |
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thioformaldehyde_CC3(FC)_d-aug-cc-pVQZ.dat
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Add code for new CC3 files
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2020-01-29 17:20:34 +01:00 |
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thioformaldehyde_CC3(Full)_aug-cc-pV5Z.dat
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Add code for new CC3 files
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2020-01-29 17:20:34 +01:00 |
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thioformaldehyde_CC3(Full)_aug-cc-pVQZ.dat
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Add code for new CC3 files
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2020-01-29 17:20:34 +01:00 |
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thioformaldehyde_CC3(Full)_d-aug-cc-pVQZ.dat
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Add code for new CC3 files
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2020-01-29 17:20:34 +01:00 |
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thioformaldehyde_CCSD_aug-cc-pVTZ.dat
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Fix missing code
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2020-01-29 17:20:34 +01:00 |
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thioformaldehyde_CCSDR(3)_aug-cc-pVTZ.dat
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Fix filenames in fluo
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2020-02-03 17:47:19 +01:00 |
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thioformaldehyde_CCSDT_aug-cc-pVDZ.dat
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Fix significative figures in datafiles
|
2020-02-03 13:26:26 +01:00 |
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thioformaldehyde_CCSDT_aug-cc-pVTZ.dat
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Add code
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2020-01-29 17:20:34 +01:00 |
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thioformaldehyde_CCSDT-3_aug-cc-pVTZ.dat
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Fix missing code
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2020-01-29 17:20:34 +01:00 |
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thioformaldehyde_CCSDTQ_aug-cc-pVDZ.dat
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Add code
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2020-01-29 17:20:34 +01:00 |
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thioformaldehyde_CCSDTQ_aug-cc-pVTZ.dat
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Fix missing code
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2020-01-29 17:20:34 +01:00 |
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thioformaldehyde_CIS(D-infty)_aug-cc-pVTZ.dat
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Fix missing code
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2020-01-29 17:20:34 +01:00 |
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thioformaldehyde_CIS(D)_aug-cc-pVTZ.dat
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Fix missing code
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2020-01-29 17:20:34 +01:00 |
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thioformaldehyde_CIS(D∞)_aug-cc-pVTZ.dat
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Add geometry and DOI
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2020-02-15 17:43:30 +01:00 |
|
thioformaldehyde_exFCI_aug-cc-pVDZ.dat
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Add code
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2020-01-29 17:20:34 +01:00 |
|
thioformaldehyde_exFCI_aug-cc-pVTZ.dat
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Add code
|
2020-01-29 17:20:34 +01:00 |
|
thioformaldehyde_STEOM-CCSD_aug-cc-pVTZ.dat
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Fix filenames in fluo
|
2020-02-03 17:47:19 +01:00 |
|
thioformaldehyde_TBE_CBS.dat
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Fix filenames in fluo
|
2020-02-03 17:47:19 +01:00 |
|
thioformaldehyde_TBE(FC)_aug-cc-pVTZ.dat
|
Add geometry and DOI
|
2020-02-15 17:43:30 +01:00 |
|
thioformaldehyde_TBE(FC).dat
|
Rename and fix TBE and TBE(FC)
|
2020-01-29 17:20:34 +01:00 |
