mirror of
https://github.com/pfloos/quack
synced 2024-11-03 20:53:53 +01:00
10 lines
522 B
Plaintext
10 lines
522 B
Plaintext
8
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Acrolein,^1A^\prime,CC3,aug-cc-pVTZ
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C -0.59080028 -0.36168618 0.00000000
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C 0.63844091 0.44299839 0.00000000
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C 1.83535092 -0.15278741 0.00000000
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O -1.71276891 0.10153431 0.00000000
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H -0.42659017 -1.45390030 0.00000000
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H 0.52229692 1.51669338 0.00000000
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H 2.75664742 0.40981367 0.00000000
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H 1.91007339 -1.23298686 0.00000000 |