mirror of
https://github.com/pfloos/quack
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10 lines
302 B
Plaintext
10 lines
302 B
Plaintext
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# nAt nEla nElb nCore nRyd
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6 15 15 0 0
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# Znuc x y z
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C 1.21360282 0.75840215 0.00000000
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C -1.21360282 -0.75840215 0.00000000
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O 3.25581408 -0.26453186 0.00000000
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O -3.25581408 0.26453186 0.00000000
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H 0.96135276 2.81883243 0.00000000
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H -0.96135276 -2.81883243 0.00000000
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