H2O Molecular Orbitals

h2o-mo1 h2o-mo2 h2o-mo3 h2o-mo4 h2o-mo5

1a1
Energy (a.u.): -20.566

2a1
Energy (a.u.): -1.325

1b2
Energy (a.u.): -0.690

3a1
Energy (a.u.): -0.564

1b1
Energy (a.u.): -0.496


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