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Molecular Orbital Level
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0
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0.0
eV
PM3 PRECISE XYZ C 2.032 1 -0.041 1 -0.536 1 H 2.601 1 0.875 1 -0.461 1 H 2.508 1 -0.946 1 -0.883 1 C 0.541 1 -0.054 1 -0.15 1 H -0.06 1 -1.02 1 -0.23 1 C -0.138 1 1.236 1 0.344 1 H -1.234 1 1.028 1 0.58 1 H 0.385 1 1.61 1 1.286 1 H -0.073 1 2.039 1 -0.464 1 Bond info. 1 2 1 1 3 1 1 4 2 4 5 1 4 6 1 6 7 1 6 8 1 6 9 1