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Fix symmetry for the second excitation of TBE CBS of benzene

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Mickaël Véril 2020-03-31 14:31:19 +02:00
parent c742aa9b4f
commit 29f4936345
1 changed files with 1 additions and 1 deletions
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2
static/data/abs/benzene_TBE_CBS_double.dat
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@ -9,4 +9,4 @@
####################### ####################### ######################################## ############# ####### ################### ##############
# Number Spin Symm Number Spin Symm type E_abs %T1 f is unsafe
1 1 A_{1g} 1 1 E_{2g} _ 8.28 _ _ false
1 1 A_{1g}{} 2 1 A_{1g} _ 10.54 _ _ false
1 1 A_{1g} 2 1 A_{1g} _ 10.54 _ _ false