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https://github.com/pfloos/quack
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13 lines
562 B
Plaintext
13 lines
562 B
Plaintext
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4
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Thioformaldehyde,^1A_1,CC3,aug-cc-pVTZ
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C 0.00000000 0.00000000 -1.10427274
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S 0.00000000 0.00000000 0.51463116
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H 0.00000000 0.91895736 -1.67756323
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H 0.00000000 -0.91895736 -1.67756323
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4
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Thioformaldehyde,^1A_1,CC3,aug-cc-pVTZ
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C 0.00000000 0.00000000 -1.16554829
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S 0.00000000 0.00000000 0.54355587
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H 0.00000000 0.93470789 -1.70347110
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H 0.00000000 -0.93470789 -1.70347110
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