H2O Localized MO 4

Description

Fourth Natural Bond Orbital (NBO) of H2O, a type of localized molecular orbital (MO); see https://nbo6.chem.wisc.edu/webnbo_css.htm. Lone pair orbital of O sp^(0.87) character. Computed with GAUSSIAN at B3LYP/6-311++G(d,p), rendered with VMD.