diff --git a/docs/molecules/n2_fci.txt b/docs/molecules/n2_fci.txt index 74f72f2..0868a3d 100644 --- a/docs/molecules/n2_fci.txt +++ b/docs/molecules/n2_fci.txt @@ -1,6 +1,4 @@ &FCI NORB= 16,NELEC=10,MS2=0, - ORBSYM=1,1,1,1,1,1,1,1,1,1,1,1,1,1,1,1 - ISYM=1, &END 0.8227153295684669 1 1 1 1 0.05187587577524144 2 1 2 1