Upper
Lower
Molecular Orbital Level
Tot E= -897.77eV
12
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-8.13
eV
Show Charge
PM3 PRECISE XYZ C 1.138 1 1.424 1 -0.692 1 C 0.55 1 0.349 1 0.163 1 C -0.549 1 -0.349 1 -0.162 1 C -1.938 1 0.06 1 0.206 1 H 2.166 1 1.163 1 -0.963 1 H 0.571 1 1.576 1 -1.616 1 H 1.156 1 2.37 1 -0.142 1 H 1.064 1 0.145 1 1.099 1 H -0.455 1 -1.275 1 -0.726 1 H -1.958 1 0.998 1 0.771 1 H -2.539 1 0.194 1 -0.699 1 H -2.406 1 -0.717 1 0.818 1 Bond info. 1 2 1 1 5 1 1 6 1 1 7 1 2 3 2 2 8 1 3 4 1 3 9 1 4 10 1 4 11 1 4 12 1