XVII.C.1. (III.D.6.) |
Calculated Ionization Energy for for AsN (Arsenic mononitride)
B2PLYP=FULLultrafine/cc-pVDZ
Cation | Neutral | Difference | |||||||
---|---|---|---|---|---|---|---|---|---|
Units | Electronic Energy | VZPE | Total | Electronic Energy | VZPE | Total | Electronic Energy | VZPE | Total |