XVII.C.1. (III.D.6.) |
Calculated Ionization Energy for for C4H6N2 (1H-Imidazole, 2-methyl-)
CCSD(T)/aug-cc-pVTZ
Cation | Neutral | Difference | |||||||
---|---|---|---|---|---|---|---|---|---|
Units | Electronic Energy | VZPE | Total | Electronic Energy | VZPE | Total | Electronic Energy | VZPE | Total |