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17 lines
938 B
Plaintext
17 lines
938 B
Plaintext
15
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Aminobenzonitrile,^1A_1,CC3,cc-pVTZ
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C 0.00000000 0.00000000 -1.78237803
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C 1.20562318 0.00000000 -1.06602913
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C -1.20562318 0.00000000 -1.06602913
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C 0.00000000 0.00000000 1.02612499
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C 1.20309056 0.00000000 0.31620347
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C -1.20309056 0.00000000 0.31620347
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C 0.00000000 0.00000000 2.45145106
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N 0.00000000 0.00000000 -3.14791690
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N 0.00000000 0.00000000 3.61459851
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H 2.14197992 0.00000000 -1.60135147
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H -2.14197992 0.00000000 -1.60135147
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H 2.13631189 0.00000000 0.85489503
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H -2.13631189 0.00000000 0.85489503
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H -0.85820433 0.00000000 -3.65983307
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H 0.85820433 0.00000000 -3.65983307 |