mirror of
https://github.com/pfloos/quack
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12 lines
373 B
Plaintext
12 lines
373 B
Plaintext
# nAt nEla nElb nCore nRyd
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8 15 15 0 0
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# Znuc x y z
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C -1.11645072 -0.68348783 0.00000000
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C 1.20647847 0.83714564 0.00000000
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C 3.46831059 -0.28872636 0.00000000
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O -3.23666415 0.19187203 0.00000000
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H -0.80613858 -2.74747338 0.00000000
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H 0.98699813 2.86613511 0.00000000
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H 5.20930864 0.77443560 0.00000000
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H 3.60951559 -2.33000749 0.00000000
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