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Molecular Orbital Level
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0.0
eV
PM5 PRECISE XYZ C 0.01 1 0 1 0.122 1 H -0.38 1 0.211 1 1.107 1 H -0.667 1 -0.211 1 -0.693 1 C 1.53 1 0 1 -0.122 1 H 2.13 1 -0.834 1 0.212 1 H 1.997 1 0.834 1 -0.625 1 Bond info. 1 2 1 1 3 1 1 4 2 4 5 1 4 6 1