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15 lines
813 B
Plaintext
15 lines
813 B
Plaintext
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13
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Benzonitrile,^1A_1,CC3,cc-pVTZ
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C 0.00000000 0.00000000 -1.97392739
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C 0.00000000 0.00000000 -0.54357340
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C 1.21054801 0.00000000 0.15130424
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C -1.21054801 0.00000000 0.15130424
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C 0.00000000 0.00000000 2.23456149
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C 1.20683919 0.00000000 1.53983404
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C -1.20683919 0.00000000 1.53983404
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N 0.00000000 0.00000000 -3.13611602
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H 2.13750797 0.00000000 -0.39729878
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H -2.13750797 0.00000000 -0.39729878
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H 2.14082120 0.00000000 2.07676673
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H -2.14082120 0.00000000 2.07676673
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H 0.00000000 0.00000000 3.31208077
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