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22 lines
1.2 KiB
Plaintext
22 lines
1.2 KiB
Plaintext
20
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Dimethylaniline,^1A_1,CCSD(T),cc-pVTZ
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C 0.00000000 0.00000000 4.89686867
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C 2.25704297 0.00000000 3.55138467
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C -2.25704297 0.00000000 3.55138467
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C 2.27412639 0.00000000 0.92841898
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C -2.27412639 0.00000000 0.92841898
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C 0.00000000 0.00000000 -0.44595239
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C 2.36139267 0.00000000 -4.39675011
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C -2.36139267 0.00000000 -4.39675011
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N 0.00000000 0.00000000 -3.03916783
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H 4.05922248 0.00000000 -0.04344476
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H -4.05922248 0.00000000 -0.04344476
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H 4.03670718 0.00000000 4.54551891
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H -4.03670718 0.00000000 4.54551891
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H 0.00000000 0.00000000 6.93154996
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H 1.97020408 0.00000000 -6.40997108
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H -1.97020408 0.00000000 -6.40997108
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H 3.49800498 -1.66955347 -3.96565000
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H 3.49800498 1.66955347 -3.96565000
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H -3.49800498 1.66955347 -3.96565000
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H -3.49800498 -1.66955347 -3.96565000 |