| |
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 | -326.3839778 | -326.7661912 | 0.3822134 | 0.0000000 | 326.7661912 | ||||||
| cm-1 | 389.8 | 425.2 | -35.4 | ||||||||
| eV | -8881.360 | 0.048 | -8881.311 | -8891.760 | 0.053 | -8891.708 | 10.401 | -0.004 | 10.396 | 0.000 | 8891.760 |