mirror of https://github.com/pfloos/quack
12 lines
634 B
Plaintext
12 lines
634 B
Plaintext
10
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Maleimide,^1A_1,CC3,aug-cc-pVTZ
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C 0.00000000 1.15016879 0.13317038
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C 0.00000000 -1.15016879 0.13317038
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C 0.00000000 0.66791856 -1.28160874
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C 0.00000000 -0.66791856 -1.28160874
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N 0.00000000 0.00000000 0.91200910
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O 0.00000000 2.28979857 0.53524897
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O 0.00000000 -2.28979857 0.53524897
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H 0.00000000 0.00000000 1.91671213
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H 0.00000000 1.34909216 -2.11477390
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H 0.00000000 -1.34909216 -2.11477390 |