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Fix formamide FCI

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Mickaël Véril 2020-09-22 14:21:35 +02:00
parent 37cf2f9d2f
commit 933423c9e2
1 changed files with 1 additions and 1 deletions
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static/data/abs/formamide_FCI_aug-cc-pVTZ.dat
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@ -9,6 +9,6 @@
####################### ####################### ######################################## ############# ####### ################### ##############
# Number Spin Symm Number Spin Symm type E_abs %T1 f is unsafe
1 1 A^\prime 1 1 A^{\prime\prime} (n \rightarrow \pi^\star) 5.7 _ _ false
1 1 A^\prime 2 1 A^\prime (\pi \rightarrow \pi^\star) 7.63 _ _ false
1 1 A^\prime 3 1 A^\prime (\pi \rightarrow \pi^\star) 7.63 _ _ false
1 1 A^\prime 1 3 A^{\prime\prime} (n \rightarrow \pi^\star) 5.4 _ _ false
1 1 A^\prime 1 3 A^\prime (\pi \rightarrow \pi^\star) 5.7 _ _ false