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https://github.com/pfloos/quack
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8 lines
402 B
Plaintext
8 lines
402 B
Plaintext
6
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Cyclopropenethione,^1A_1,CC3,aug-cc-pVTZ
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C 0.00000000 0.66798433 -1.51647332
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C 0.00000000 -0.66798433 -1.51647332
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C 0.00000000 0.00000000 -0.26053106
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S 0.00000000 0.00000000 1.36433357
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H 0.00000000 1.57574861 -2.09085356
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H 0.00000000 -1.57574861 -2.09085356 |