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17 lines
790 B
Plaintext
17 lines
790 B
Plaintext
6
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^1A^\prime,CC3,aug-cc-pVTZ
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C -0.94419297 0.00000000 -0.56740524
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N -0.00286683 0.00000000 0.57183096
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O 1.15791903 0.00000000 0.22993880
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H -0.40928669 0.00000000 -1.51564611
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H -1.57415127 0.88267715 -0.45733920
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H -1.57415127 -0.88267715 -0.45733920
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6
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^1A^\prime,CC3,aug-cc-pVTZ
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C 0.98589034 0.00000000 -0.56111355
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N 0.00337982 0.00000000 0.54265012
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O -1.20082518 0.00000000 0.25241483
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H 1.97171497 0.00000000 -0.11162916
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H 0.83869903 0.89412308 -1.16936112
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H 0.83869903 -0.89412308 -1.16936112 |