Upper
Lower
Molecular Orbital Level
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0
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0.0
eV
PM3 PRECISE XYZ C 0.066 1 -0.083 1 0.52 1 H -0.204 1 0.895 1 0.927 1 H -0.742 1 -0.44 1 -0.122 1 H 0.21 1 -0.787 1 1.343 1 O 1.332 1 0.032 1 -0.275 1 O 1.691 1 -1.276 1 -0.817 1 C 3.04 1 -1.682 1 -0.303 1 H 3.433 1 -0.905 1 0.355 1 H 2.954 1 -2.616 1 0.254 1 H 3.725 1 -1.825 1 -1.142 1 Bond info. 1 2 1 1 3 1 1 4 1 1 5 1 5 6 1 6 7 1 7 8 1 7 9 1 7 10 1