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https://github.com/pfloos/quack
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5 lines
217 B
Plaintext
5 lines
217 B
Plaintext
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3
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\ce{HPO},^1A^\prime,CC3,aug-cc-pVTZ
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H 0.16758321 0.00000000 0.07446965
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P -0.42637671 0.00000000 1.40304419
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O 0.75879350 0.00000000 2.32248616
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