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https://github.com/pfloos/quack
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6 lines
287 B
Plaintext
6 lines
287 B
Plaintext
4
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\ce{CH3},^2A_2^{\prime\prime},CC3,aug-cc-pVTZ
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C 0.00000000 0.00000000 0.00000000
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H 0.00000000 0.00000000 1.07623800
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H 0.00000000 0.93205000 -0.53811900
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H 0.00000000 -0.93205000 -0.53811900 |