| |
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 | -379.3809954 | -379.7723214 | 0.3913260 | 0.0000000 | 379.7723214 | ||||||
| cm-1 | 2748.7 | 2947.2 | -198.4 | ||||||||
| eV | -10323.482 | 0.341 | -10323.141 | -10334.130 | 0.365 | -10333.765 | 10.649 | -0.025 | 10.624 | 0.000 | 10334.130 |