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https://github.com/pfloos/quack
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5 lines
212 B
Plaintext
5 lines
212 B
Plaintext
3
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\ce{BH2},^2A_1,CC3,aug-cc-pVTZ
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B 0.00000000 0.00000000 0.07929680
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H 0.00000000 1.06427600 -0.43311221
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H 0.00000000 -1.06427600 -0.43311221 |