diff --git a/static/data/structures/QUEST3/cyanogen.xyz b/static/data/structures/QUEST3/cyanogen.xyz index f2e77fe8..fe1e58fe 100644 --- a/static/data/structures/QUEST3/cyanogen.xyz +++ b/static/data/structures/QUEST3/cyanogen.xyz @@ -1,6 +1,6 @@ 4 ^1\Sigma_g^+,CC3,aug-cc-pVTZ - 0.00000000 0.00000000 0.69005726 +C 0.00000000 0.00000000 0.69005726 C 0.00000000 0.00000000 -0.69005726 N 0.00000000 0.00000000 1.85097785 N 0.00000000 0.00000000 -1.85097785