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https://github.com/pfloos/quack
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7 lines
194 B
Plaintext
7 lines
194 B
Plaintext
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# nAt nEla nElb nCore nRyd
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3 4 3 0 0
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# Znuc x y z
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B 0.00000000 0.00000000 0.14984923
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H 0.00000000 2.01119016 -0.81846345
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H 0.00000000 -2.01119016 -0.81846345
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