mirror of https://github.com/pfloos/quack
7 lines
363 B
Plaintext
7 lines
363 B
Plaintext
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5
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Diazirine,^1A_1,CC3,aug-cc-pVTZ
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C 0.0000000000 0.0000000000 -0.1412696719
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H 0.0000000000 0.9307745323 -0.6806090886
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H 0.0000000000 -0.9307745323 -0.6806090886
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N 0.6141530166 0.0000000000 1.2022006973
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N -0.6141530166 0.0000000000 1.2022006973
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