| |
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 | -496.9210030 | -497.2868751 | 0.3658720 | 0.0000000 | 497.2868751 | ||||||
| cm-1 | 470.4 | 400.4 | 70.0 | ||||||||
| eV | -13521.908 | 0.058 | -13521.850 | -13531.864 | 0.050 | -13531.814 | 9.956 | 0.009 | 9.965 | 0.000 | 13531.864 |