mirror of
https://github.com/pfloos/quack
synced 2024-06-19 03:36:42 +02:00
14 lines
757 B
Plaintext
14 lines
757 B
Plaintext
12
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Benzoquinone,^1A_g,CC3,aug-cc-pVTZ
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C 1.43654376 0.00000000 0.00000000
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C -1.43654376 0.00000000 0.00000000
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C 0.67018012 1.26325165 0.00000000
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C 0.67018012 -1.26325165 0.00000000
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C -0.67018012 1.26325165 0.00000000
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C -0.67018012 -1.26325165 0.00000000
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O 2.65968513 0.00000000 0.00000000
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O -2.65968513 0.00000000 0.00000000
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H 1.25530716 2.17131386 0.00000000
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H 1.25530716 -2.17131386 0.00000000
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H -1.25530716 2.17131386 0.00000000
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H -1.25530716 -2.17131386 0.00000000 |