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15 lines
844 B
15 lines
844 B
2 years ago
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Coordinates from ORCA-job cmmd
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C 1.37260436112356 -0.22026276421215 0.00547047023826
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C 0.50272945880886 -1.29741725617100 -0.00872890193775
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C -0.86505848472206 -1.08260844519038 -0.01374705758241
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C -1.36305644841968 0.20929919814959 -0.00446438511787
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C -0.49318132097366 1.28641428149678 0.00977806727944
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C 0.87463411368352 1.07162318446095 0.01469701658624
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H 2.43996541860591 -0.38792834851432 0.00935918376693
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H 0.89135300032527 -2.30553664453777 -0.01584172099556
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H -1.54389392375015 -1.92312101358440 -0.02496277241009
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H -2.43042795974921 0.37687130997575 -0.00833452091932
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H -0.88176466598630 2.29455258686373 0.01711318587593
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H 1.55344645105395 1.91215391126322 0.02567143521620
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