mirror of
https://github.com/pfloos/quack
synced 2024-11-04 21:23:55 +01:00
8 lines
397 B
Plaintext
8 lines
397 B
Plaintext
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6
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Propynal,^1A^\prime,CC3,aug-cc-pVTZ
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C -0.41302871 0.00000000 -0.73502918
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C -0.09458282 0.00000000 0.67642536
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C 0.12575216 0.00000000 1.86611591
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O 0.42410376 0.00000000 -1.61202369
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H -1.48546959 0.00000000 -0.96717057
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H 0.33881211 0.00000000 2.90440602
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