mirror of https://github.com/pfloos/quack
13 lines
560 B
Plaintext
13 lines
560 B
Plaintext
4
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Cyanogen,^1\Sigma_g^+,CC3,aug-cc-pVTZ
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C 0.00000000 0.00000000 0.69005726
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C 0.00000000 0.00000000 -0.69005726
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N 0.00000000 0.00000000 1.85097785
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N 0.00000000 0.00000000 -1.85097785
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4
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Cyanogen,^1\Sigma_g^+,CC3,aug-cc-pVTZ
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C 0.00000000 0.00000000 0.64974555
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C 0.00000000 0.00000000 -0.64974555
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N 0.00000000 0.00000000 1.88631863
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N 0.00000000 0.00000000 -1.88631863 |