Ec/geometries/cyclopentadiene.xyz
2021-06-21 14:02:06 +02:00

13 lines
700 B
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11
Cyclopentadiene,^1A_1,CC3,aug-cc-pVTZ
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