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https://github.com/pfloos/quack
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4 lines
156 B
Plaintext
4 lines
156 B
Plaintext
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2
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\ce{CN},^2\Sigma^+,CC3,aug-cc-pVTZ
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C 0.00000000 0.00000000 -0.62947686
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N 0.00000000 0.00000000 0.53943315
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