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https://github.com/pfloos/quack
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5 lines
217 B
Plaintext
5 lines
217 B
Plaintext
3
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\ce{HCP},^1\Sigma^+,CC3,aug-cc-pVTZ
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H 0.00000000 0.00000000 -2.13306279
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C 0.00000000 0.00000000 -1.06730620
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P 0.00000000 0.00000000 0.48367655 |