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Fix TBE water

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Mickaël Véril 2020-09-21 11:00:57 +02:00
parent 882c05b0e4
commit 8e109f6000
1 changed files with 1 additions and 1 deletions
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static/data/abs/water_TBE(Full)_CBS.dat
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@ -1,7 +1,7 @@
# Molecule : Water # Molecule : Water
# Comment : # Comment :
# code : # code :
# method : TBE # method : TBE(Full),CBS
# geom : CC3,aug-cc-pVTZ # geom : CC3,aug-cc-pVTZ
# set : QUEST#1,0 # set : QUEST#1,0