mirror of
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{HPS},^1A^\prime,CC3,aug-cc-pVTZ
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H -1.35616985 0.00000000 1.25042461
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P 0.04823017 0.00000000 0.96611112
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S 0.04205367 0.00000000 -0.98309574 |