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https://github.com/pfloos/quack
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7 lines
195 B
Plaintext
7 lines
195 B
Plaintext
# nAt nEla nElb nCore nRyd
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3 8 7 0 0
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# Znuc x y z
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H 0.00000000 -2.55038496 1.39798104
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C 0.00000000 -1.17300976 -0.19046167
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O 0.00000000 1.04073447 0.05480615
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