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18 lines
993 B
Plaintext
18 lines
993 B
Plaintext
16
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Nitroaniline,^1A_1,CC3,cc-pVTZ
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C 0.00000000 0.00000000 -2.14801358
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C 1.20688574 0.00000000 -1.43307045
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C -1.20688574 0.00000000 -1.43307045
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C 0.00000000 0.00000000 0.63048331
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C 1.20815565 0.00000000 -0.05123411
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C -1.20815565 0.00000000 -0.05123411
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N 0.00000000 0.00000000 2.08523739
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N 0.00000000 0.00000000 -3.51236894
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O 1.08453908 0.00000000 2.65335167
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O -1.08453908 0.00000000 2.65335167
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H 2.14210473 0.00000000 -1.96957121
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H -2.14210473 0.00000000 -1.96957121
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H 2.12746468 0.00000000 0.50566732
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H -2.12746468 0.00000000 0.50566732
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H -0.85796734 0.00000000 -4.02433332
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H 0.85796734 0.00000000 -4.02433332 |