mirror of https://github.com/pfloos/quack
10 lines
509 B
Plaintext
10 lines
509 B
Plaintext
8
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Allyl,^2A_2,CC3,aug-cc-pVTZ
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C 0.00000000 0.00000000 0.43948555
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C 0.00000000 1.22230000 -0.20491245
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C 0.00000000 -1.22230000 -0.20491245
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H 0.00000000 0.00000000 1.52163355
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H 0.00000000 2.14865500 0.34693155
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H 0.00000000 -2.14865500 0.34693155
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H 0.00000000 1.27563400 -1.28433045
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H 0.00000000 -1.27563400 -1.28433045 |