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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{HOC},^2A^\prime,CC3,aug-cc-pVTZ
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H 0.00000000 0.96311826 0.79827222
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O 0.00000000 0.51048596 -0.06819948
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C 0.00000000 -0.76131950 0.02386051 |