mirror of
https://github.com/pfloos/quack
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8 lines
230 B
Plaintext
8 lines
230 B
Plaintext
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# nAt nEla nElb nCore nRyd
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4 8 7 0 0
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# Znuc x y z
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O 0.00000000 0.00000000 1.17360276
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B 0.00000000 0.00000000 -1.27133435
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H 0.00000000 1.98370787 -2.36904602
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H 0.00000000 -1.98370787 -2.36904602
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