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Fix thioacetone.xyz

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This commit is contained in:
Mickaël Véril 2020-09-29 15:41:50 +02:00
parent cf6a49913e
commit a10607bc54
1 changed files with 1 additions and 1 deletions
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static/data/structures/QUEST3/thioacetone.xyz
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@ -1,5 +1,5 @@
10 10
Tetrazine,^1A_1,CC3,aug-cc-pVTZ Thioacetone,^1A_1,CC3,aug-cc-pVTZ
C 0.00000000 0.00000000 0.36235955 C 0.00000000 0.00000000 0.36235955
C 0.00000000 1.26230829 1.16781524 C 0.00000000 1.26230829 1.16781524
C 0.00000000 -1.26230829 1.16781524 C 0.00000000 -1.26230829 1.16781524