Figure 1.7

Figure 1.7 features a qualitative MO scheme for the pi-MOs of ethylene.

eth_001f.mol

Input file for 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.