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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{PH2},^2B_1,CC3,aug-cc-pVTZ
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P 0.00000000 0.00000000 0.06047247
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H 0.00000000 1.01549100 -0.92925852
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H 0.00000000 -1.01549100 -0.92925852 |