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78 lines
5.0 KiB
78 lines
5.0 KiB
2 years ago
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75
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energy: -110.900309438622 gnorm: 0.000476956992 xtb: 6.4.1 (060166e8e329d5f5f0e407f406ce482635821d54)
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Ni -0.09028575139017 1.05626187671734 -1.40032543609075
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C 3.20793685329482 1.91016245394040 -3.71383131252978
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H -0.51013199176335 2.41762662907648 -1.73948169654133
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C -2.28482439083287 1.13160979705768 1.28333774041920
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C 2.89210407218110 3.60088284049938 1.19664341916966
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C 3.68709909080796 3.29179861337528 2.28763843778383
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