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https://github.com/pfloos/quack
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4 lines
151 B
Plaintext
4 lines
151 B
Plaintext
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2
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\ce{NO},^2\Pi,CC3,aug-cc-pVTZ
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N 0.00000000 0.00000000 -0.61265537
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O 0.00000000 0.00000000 0.53636163
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