Upper
Lower
Molecular Orbital Level
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0
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0.0
eV
PM5 PRECISE XYZ C -0.579 1 -0.154 1 -0.021 1 C 0.579 1 -0.469 1 0.021 1 H -1.606 1 0.126 1 -0.059 1 H 1.607 1 -0.749 1 0.059 1 Bond info. 1 2 3 1 3 1 2 4 1