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https://github.com/pfloos/quack
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8 lines
231 B
Plaintext
8 lines
231 B
Plaintext
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# nAt nEla nElb nCore nRyd
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4 13 12 0 0
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# Znuc x y z
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P 0.00000000 0.87766783 -0.10010856
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O 0.00000000 -1.95912323 0.05701315
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H 2.08101554 2.05955113 1.08591181
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H -2.08101554 2.05955113 1.08591181
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