mirror of https://github.com/pfloos/quack
10 lines
521 B
Plaintext
10 lines
521 B
Plaintext
8
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Thioacrolein,^1A^\prime,CC3,aug-cc-pVTZ
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C 2.26325482 0.00000000 -0.46737002
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C 0.93372806 0.00000000 -0.65617151
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C 0.00471961 0.00000000 0.45188177
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S -1.62198503 0.00000000 0.30987938
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H 2.95091478 0.00000000 -1.29950822
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H 2.68266516 0.00000000 0.52991541
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H 0.51127228 0.00000000 -1.65069059
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H 0.46096733 0.00000000 1.43807578 |