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8 lines
368 B
8 lines
368 B
2 years ago
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Coordinates from ORCA-job cmmd
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C 1.08367005201849 -0.04679016450930 0.02846078438560
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H 2.16583024635189 -0.04679045711409 0.02845859430043
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H 0.72295529579771 0.07592075234087 1.04132725136236
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H 0.72294748574004 -0.98531158697568 -0.37169802557748
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H 0.72294692009187 0.76902145625821 -0.58423860447090
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