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https://github.com/pfloos/quack
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9 lines
267 B
Plaintext
9 lines
267 B
Plaintext
# nAt nEla nElb nCore nRyd
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5 8 7 0 0
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# Znuc x y z
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C 0.00000000 1.16769663 -0.04303146
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C 0.00000000 -1.29945364 0.15810072
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H 0.00000000 2.38429609 1.59801822
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H 0.00000000 2.08759130 -1.87998309
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H 0.00000000 -2.90307925 -1.08814513
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