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QUESTDB_website/static/data/structures/QUEST3/cyclopentadiene.xyz

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Add geometries for QUEST#3
2020-08-30 17:36:26 +02:00
11
Add molecule parameter to each XYZ
2020-09-27 16:41:49 +02:00
Cyclopentadiene,^1A_1,CC3,aug-cc-pVTZ
Add geometries for QUEST#3
2020-08-30 17:36:26 +02:00
C 0.00000000 0.00000000 -1.23358114
C 0.00000000 1.17587987 -0.30094937
C 0.00000000 -1.17587987 -0.30094937
C 0.00000000 0.73298691 0.97248442
C 0.00000000 -0.73298691 0.97248442
H 0.87912477 0.00000000 -1.88606325
H -0.87912477 0.00000000 -1.88606325
H 0.00000000 2.20428981 -0.62504626
H 0.00000000 -2.20428981 -0.62504626
H 0.00000000 1.34683318 1.85927632
H 0.00000000 -1.34683318 1.85927632
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