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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{CF2},^1A_1,CC3,aug-cc-pVTZ
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C 0.00000000 0.00000000 -0.60416558
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F 0.00000000 1.03089339 0.19110948
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F 0.00000000 -1.03089339 0.19110948 |