XVII.C.1. (III.D.6.) |
Calculated Ionization Energy for for CBr2Cl2 (dibromodichloromethane)
TPSSh/daug-cc-pVTZ
Cation | Neutral | Difference | |||||||
---|---|---|---|---|---|---|---|---|---|
Units | Electronic Energy | VZPE | Total | Electronic Energy | VZPE | Total | Electronic Energy | VZPE | Total |