mirror of
https://github.com/pfloos/quack
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8 lines
229 B
Plaintext
8 lines
229 B
Plaintext
# nAt nEla nElb nCore nRyd
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4 5 4 0 0
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# Znuc x y z
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C 0.00000000 0.00000000 0.00000000
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H 0.00000000 0.00000000 2.03379507
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H 0.00000000 1.76131924 -1.01689753
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H 0.00000000 -1.76131924 -1.01689753
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