Figure 2.26

This figure shows molecular orbital energy levels for two selected alkenes:

Ethylene:

#P B3LYP/6-31G(d) int=ultrafine freq pop=npa                                  

eth_001f B3LYP/6-31G(d) int=ultrafine opt ethylenen D2h                                  

0 1
C,0,0.6654636945,0.,1.
C,0,-0.6654636945,0.,1.
H,0,1.2396265098,-0.9235644495,1.
H,0,1.2396265098,0.9235644495,1.
H,0,-1.2396265098,0.9235644495,1.
H,0,-1.2396265098,-0.9235644495,1.

Acrylonitrile:

#P B3LYP/6-31G(d) freq pop=(npa) int=ultrafine

an_001f B3LYP/6-31G(d) opt acrylonitrile Cs

0 1
C,0,-0.0129290594,0.,-0.0181440491
C,0,0.0130678014,0.,1.3201899309
H,0,0.8974892554,0.,-0.6092237303
H,0,-0.9570873761,0.,-0.5533740178
H,0,-0.9058724316,0.,1.9016878324
C,0,1.2289488361,0.,2.074960944
N,0,2.204555375,0.,2.7089030898