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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{NCO},^2\Pi,CC3,aug-cc-pVTZ
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N 0.00000000 0.00000000 -1.26655156
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C 0.00000000 0.00000000 -0.03830257
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O 0.00000000 0.00000000 1.13756443 |