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24 lines
1.3 KiB
Plaintext
24 lines
1.3 KiB
Plaintext
22
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Nitrodimethylaniline,^1A_1,CCSD(T),cc-pVTZ
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C 0.00000000 0.00000000 -1.43350797
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C 1.20804219 0.00000000 -0.70539471
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C -1.20804219 0.00000000 -0.70539471
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C 0.00000000 0.00000000 1.36107752
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C 1.20557908 0.00000000 0.67628100
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C -1.20557908 0.00000000 0.67628100
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C 1.25152635 0.00000000 -3.51873760
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C -1.25152635 0.00000000 -3.51873760
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N 0.00000000 0.00000000 -2.79572246
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N 0.00000000 0.00000000 2.81443952
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O 1.08458905 0.00000000 3.38335219
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O -1.08458905 0.00000000 3.38335219
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H 2.15207548 0.00000000 -1.21907713
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H -2.15207548 0.00000000 -1.21907713
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H 2.12679902 0.00000000 1.23060782
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H -2.12679902 0.00000000 1.23060782
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H 1.04101752 0.00000000 -4.58274442
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H -1.04101752 0.00000000 -4.58274442
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H 1.84946540 -0.88435072 -3.29010255
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H 1.84946540 0.88435072 -3.29010255
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H -1.84946540 0.88435072 -3.29010255
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H -1.84946540 -0.88435072 -3.29010255 |