Hydroxycarbene   HCOH                         Back

 
B3LYP/6-31G(d,p) NBO7.  Dipoles (Debyes): O lone pair, 3.07 (red); C lone pair, 4.42 (red); COpi, 4.28 (black); COsigma, 1.42 (gray); CH , 1.95 (white);  OH, 0.23 (white); nuclear, 6.34 (blue); calculated molecular, 1.64 (yellow); calculated (mp2/aug-cc-pVQZ) 1.30.