Figure 1.19

Figure 1.19 features a qualitative MO scheme for the MOs of formaldehyde.

Input file for formaldehyde:

#P b3lyp/6-31G(d) int=ultrafine freq pop=npa                         

form01f B3LYP/6-31G(d) opt tight                               

0 1
C,0,0.,0.,-0.5289052432
O,0,0.,0.,0.6775693998
H,0,0.937797417,0.,-1.1235618696
H,0,-0.937797417,0.,-1.1235618696