mirror of
https://github.com/pfloos/quack
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12 lines
375 B
Plaintext
12 lines
375 B
Plaintext
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# nAt nEla nElb nCore nRyd
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8 12 11 0 0
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# Znuc x y z
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C 0.00000000 0.00000000 0.83050732
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C 0.00000000 2.30981224 -0.38722841
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C 0.00000000 -2.30981224 -0.38722841
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H 0.00000000 0.00000000 2.87547067
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H 0.00000000 4.06036949 0.65560561
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H 0.00000000 -4.06036949 0.65560561
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H 0.00000000 2.41059890 -2.42703281
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H 0.00000000 -2.41059890 -2.42703281
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