From 933423c9e2f0c4736b81357aca9ad77ab054cce2 Mon Sep 17 00:00:00 2001 From: =?UTF-8?q?Micka=C3=ABl=20V=C3=A9ril?= Date: Tue, 22 Sep 2020 14:21:35 +0200 Subject: [PATCH] Fix formamide FCI --- static/data/abs/formamide_FCI_aug-cc-pVTZ.dat | 2 +- 1 file changed, 1 insertion(+), 1 deletion(-) diff --git a/static/data/abs/formamide_FCI_aug-cc-pVTZ.dat b/static/data/abs/formamide_FCI_aug-cc-pVTZ.dat index f71f619d..0a075e2e 100644 --- a/static/data/abs/formamide_FCI_aug-cc-pVTZ.dat +++ b/static/data/abs/formamide_FCI_aug-cc-pVTZ.dat @@ -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