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Fix cyanogen.xyz GS

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This commit is contained in:
Mickaël Véril 2020-09-27 13:44:01 +02:00
parent 6ad145ba0e
commit 5736776d73
1 changed files with 1 additions and 1 deletions
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2
static/data/structures/QUEST3/cyanogen.xyz
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@ -1,6 +1,6 @@
4 4
^1\Sigma_g^+,CC3,aug-cc-pVTZ ^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 C 0.00000000 0.00000000 -0.69005726
N 0.00000000 0.00000000 1.85097785 N 0.00000000 0.00000000 1.85097785
N 0.00000000 0.00000000 -1.85097785 N 0.00000000 0.00000000 -1.85097785