XVII.C.1. (III.D.6.) |
Calculated Ionization Energy for for NH(CH3)CONH(CH3) (Urea, N,N'-dimethyl-)
MP2=FULL/6-31G**
Cation | Neutral | Difference | |||||||
---|---|---|---|---|---|---|---|---|---|
Units | Electronic Energy | VZPE | Total | Electronic Energy | VZPE | Total | Electronic Energy | VZPE | Total |