mirror of
https://github.com/pfloos/quack
synced 2024-11-14 10:03:53 +01:00
11 lines
586 B
Plaintext
11 lines
586 B
Plaintext
9
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Imidazole,^1A^\prime,CC3,aug-cc-pVTZ
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C 0.22047002 1.09013818 0.00000000
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C -0.80762172 -0.85908302 0.00000000
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C 0.55119348 -1.02135132 0.00000000
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N -1.00726640 0.50226832 0.00000000
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N 1.18649703 0.20152884 0.00000000
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H 0.34661972 2.15771096 0.00000000
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H -1.89181141 0.97423200 0.00000000
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H -1.62120791 -1.55873998 0.00000000
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H 1.10425494 -1.94208619 0.00000000 |