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https://github.com/pfloos/quack
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5 lines
218 B
Plaintext
5 lines
218 B
Plaintext
3
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\ce{HCCl},^1A^\prime,CC3,aug-cc-pVTZ
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H -0.99521495 0.00000000 -0.07579894
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Cl 1.20948440 0.00000000 -0.22892822
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C -0.21426945 0.00000000 0.69937099 |