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QUESTDB_website/static/data/structures/QUEST5/cyclopentadienethione.xyz

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Add QUEST#5 geometries
2020-09-01 18:12:16 +02:00
10
Add molecule parameter to each XYZ
2020-09-27 16:41:49 +02:00
Cyclopentadienethione,^1A_1,CC3,aug-cc-pVTZ
Add QUEST#5 geometries
2020-09-01 18:12:16 +02:00
C 0.00000000 0.00000000 0.28955986
C 0.00000000 1.18215089 -0.59082034
C 0.00000000 -1.18215089 -0.59082034
C 0.00000000 0.74411969 -1.86472487
C 0.00000000 -0.74411969 -1.86472487
S 0.00000000 0.00000000 1.92262669
H 0.00000000 2.19382547 -0.22612803
H 0.00000000 -2.19382547 -0.22612803
H 0.00000000 1.34987932 -2.75652754
H 0.00000000 -1.34987932 -2.75652754
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