mirror of
https://github.com/pfloos/quack
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11 lines
569 B
Plaintext
11 lines
569 B
Plaintext
9
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Furan,^1A_1,CC3,aug-cc-pVTZ
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C 0.00000000 1.09204092 -0.31777753
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C 0.00000000 -1.09204092 -0.31777753
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C 0.00000000 0.71623383 0.98604985
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C 0.00000000 -0.71623383 0.98604985
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O 0.00000000 0.00000000 -1.13214994
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H 0.00000000 2.04440888 -0.81369302
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H 0.00000000 -2.04440888 -0.81369302
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H 0.00000000 1.37146217 1.83713421
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H 0.00000000 -1.37146217 1.83713421 |