21 lines
1.0 KiB
Plaintext
21 lines
1.0 KiB
Plaintext
8
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Tetrazine,^1A_g,CC3,aug-cc-pVTZ
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C 0.00000000 0.00000000 1.26054332
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C 0.00000000 0.00000000 -1.26054332
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N 0.00000000 1.19421138 0.66133002
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N 0.00000000 -1.19421138 0.66133002
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N 0.00000000 1.19421138 -0.66133002
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N 0.00000000 -1.19421138 -0.66133002
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H 0.00000000 0.00000000 2.33817427
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H 0.00000000 0.00000000 -2.33817427
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8
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Tetrazine,^1A_g,CC3,aug-cc-pVTZ
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C 0.00000000 0.00000000 1.26054332
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C 0.00000000 0.00000000 -1.26054332
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N 1.19421138 0.00000000 0.66133002
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N -1.19421138 0.00000000 0.66133002
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N 1.19421138 0.00000000 -0.66133002
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N -1.19421138 0.00000000 -0.66133002
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H 0.00000000 0.00000000 2.33817427
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H 0.00000000 0.00000000 -2.33817427 |