mirror of
https://github.com/pfloos/quack
synced 2024-11-14 01:53:57 +01:00
13 lines
700 B
Plaintext
13 lines
700 B
Plaintext
11
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Cyclopentadiene,^1A_1,CC3,aug-cc-pVTZ
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C 0.00000000 0.00000000 -1.23358114
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C 0.00000000 1.17587987 -0.30094937
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C 0.00000000 -1.17587987 -0.30094937
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C 0.00000000 0.73298691 0.97248442
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C 0.00000000 -0.73298691 0.97248442
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H 0.87912477 0.00000000 -1.88606325
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H -0.87912477 0.00000000 -1.88606325
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H 0.00000000 2.20428981 -0.62504626
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H 0.00000000 -2.20428981 -0.62504626
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H 0.00000000 1.34683318 1.85927632
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H 0.00000000 -1.34683318 1.85927632 |