mirror of
https://github.com/pfloos/quack
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12 lines
634 B
Plaintext
12 lines
634 B
Plaintext
10
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Pyrimidine,^1A_1,CC3,aug-cc-pVTZ
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C 0.00000000 0.00000000 1.27806007
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C 0.00000000 0.00000000 -1.37803506
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C 0.00000000 1.18150751 -0.65019687
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C 0.00000000 -1.18150751 -0.65019687
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N 0.00000000 1.19707397 0.68591814
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N 0.00000000 -1.19707397 0.68591814
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H 0.00000000 0.00000000 2.35896752
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H 0.00000000 0.00000000 -2.45602226
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H 0.00000000 2.14395798 -1.14488415
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H 0.00000000 -2.14395798 -1.14488415 |