mirror of
https://github.com/pfloos/quack
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8 lines
400 B
Plaintext
8 lines
400 B
Plaintext
6
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Diacetylene,^1\Sigma_g,CC3,aug-cc-pVTZ
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C 0.00000000 0.00000000 0.68500773
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C 0.00000000 0.00000000 -0.68500773
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C 0.00000000 0.00000000 1.89682740
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C 0.00000000 0.00000000 -1.89682740
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H 0.00000000 0.00000000 2.95779899
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H 0.00000000 0.00000000 -2.95779899 |