XVII.C.1. (III.D.6.) |
Calculated Ionization Energy for for CHClCHCH2CH3 ((E)-1-Chloro-1-butene)
B3LYP/cc-pVDZ
Cation | Neutral | Difference | |||||||
---|---|---|---|---|---|---|---|---|---|
Units | Electronic Energy | VZPE | Total | Electronic Energy | VZPE | Total | Electronic Energy | VZPE | Total |