![]() |
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 | -75.3404147 | -75.7548459 | 0.4144312 | 0.0000000 | 75.7548459 | ||||||
cm-1 | 651.5 | 885.6 | -234.1 | ||||||||
eV | -2050.117 | 0.081 | -2050.036 | -2061.394 | 0.110 | -2061.284 | 11.277 | -0.029 | 11.248 | 0.000 | 2061.394 |