mirror of
https://github.com/pfloos/quack
synced 2024-11-03 20:53:53 +01:00
14 lines
755 B
Plaintext
14 lines
755 B
Plaintext
12
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Benzene,^1A_{1g},CC3,aug-cc-pVTZ
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C 0.00000000 1.39250319 0.00000000
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C -1.20594314 0.69625160 0.00000000
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C -1.20594314 -0.69625160 0.00000000
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C 0.00000000 -1.39250319 0.00000000
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C 1.20594314 -0.69625160 0.00000000
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C 1.20594314 0.69625160 0.00000000
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H -2.14171677 1.23652075 0.00000000
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H -2.14171677 -1.23652075 0.00000000
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H 0.00000000 -2.47304151 0.00000000
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H 2.14171677 -1.23652075 0.00000000
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H 2.14171677 1.23652075 0.00000000
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H 0.00000000 2.47304151 0.00000000 |