8 lines
403 B
Plaintext
8 lines
403 B
Plaintext
6 Schaefer Water Dimer 1
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1 O -0.024616 -0.001154 -0.003748 1 2 3
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2 H -0.244211 -0.000666 0.933978 2 1
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3 H 0.932234 -0.000406 -0.008705 2 1
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4 O -0.892721 0.000120 2.773674 1 5 6
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5 H -1.462996 0.755120 2.933870 2 4
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6 H -1.461809 -0.755549 2.934934 2 4
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