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https://github.com/pfloos/quack
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8 lines
230 B
Plaintext
8 lines
230 B
Plaintext
# nAt nEla nElb nCore nRyd
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4 8 8 0 0
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# Znuc x y z
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C 0.00000000 0.00000000 -1.13947666
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O 0.00000000 0.00000000 1.14402883
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H 0.00000000 1.76627623 -2.23398653
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H 0.00000000 -1.76627623 -2.23398653
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