H2O Localized MO 2

3D Model

Second Natural Bond Orbital (NBO) of H2O, a type of localized molecular orbital (MO); see https://nbo6.chem.wisc.edu/webnbo_css.htm. Bonding orbital combining O sp^(3.29) orbital with H s orbital. Computed with GAUSSIAN at B3LYP/6-311++G(d,p), rendered with VMD.