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2 parents 6c02790 + ea13d51 commit 58bf656Copy full SHA for 58bf656
1 file changed
input/quantum_corrections/data.py
@@ -801,6 +801,8 @@
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"LevelOfTheory(method='wb97xd',basis='def2svp',software='gaussian')": 0.986, # [4]
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"LevelOfTheory(method='wb97xd3',basis='def2tzvp',software='qchem')": 0.984, # [4]
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"LevelOfTheory(method='wb97mv',basis='def2tzvpd')": 1.002, # [4]
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+ "LevelOfTheory(method='b2plypd3',basis='aug-cc-pvtz')": 0.995, # [4]
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+ "LevelOfTheory(method='b2plypd3',basis='cc-pvtz')": 0.993, # [4]
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"LevelOfTheory(method='b2plypd3',basis='def2tzvp')": 0.995, # [4]
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"LevelOfTheory(method='apfd',basis='def2tzvp')": 0.993, # [4]
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"LevelOfTheory(method='apfd',basis='def2tzvpp')": 0.992, # [4]
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