mirror of
https://github.com/pfloos/quack
synced 2024-06-01 10:55:28 +02:00
11 lines
579 B
Plaintext
11 lines
579 B
Plaintext
9
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Triazine,^1A_1^\prime,CC3,aug-cc-pVTZ
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C 0.00000000 -1.11875858 -0.64591557
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C 0.00000000 0.00000000 1.29183114
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C 0.00000000 1.11875858 -0.64591557
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N 0.00000000 -1.18866290 0.68627484
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N 0.00000000 1.18866290 0.68627484
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N 0.00000000 0.00000000 -1.37254969
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H 0.00000000 2.05477770 -1.18632646
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H 0.00000000 -2.05477770 -1.18632646
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H 0.00000000 0.00000000 2.37265291 |