mirror of https://github.com/pfloos/quack
8 lines
401 B
Plaintext
8 lines
401 B
Plaintext
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6
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Thiopropynal,^1A^\prime,CC3,aug-cc-pVTZ
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C -0.00202635 0.00000000 -0.66279397
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C -1.20563726 0.00000000 0.08018483
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C -2.25593316 0.00000000 0.68554269
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S 1.49185792 0.00000000 -0.00438674
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H -0.12201234 0.00000000 -1.74026373
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H -3.16296081 0.00000000 1.23407793
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