![]() |
Computational Chemistry Comparison and Benchmark DataBase Release 22 (May 2022) Standard Reference Database 101 National Institute of Standards and Technology |
|
|
You are here: Home > Ions > Energy > Calculated Ionization Energy OR Calculated > Energy > Ion > Calculated Ionization Energy |
Cation | Neutral | Difference | Vertical | Difference | |||||||
---|---|---|---|---|---|---|---|---|---|---|---|
Units | Electronic Energy | VZPE | Total | Electronic Energy | VZPE | Total | Electronic Energy | VZPE | Total | Electronic Energy | Total |
Hartrees | -15.4995715 | -15.9175954 | 0.4180239 | 0.0000000 | 15.9175954 | ||||||
cm-1 | 1837.4 | 2778.8 | -941.3 | ||||||||
eV | -421.765 | 0.228 | -421.537 | -433.140 | 0.345 | -432.795 | 11.375 | -0.117 | 11.258 | 0.000 | 433.140 |