| |
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 | -21.0952443 | -21.4354804 | 0.3402360 | 0.0000000 | 21.4354804 | ||||||
| cm-1 | 3632.0 | 3539.2 | 92.7 | ||||||||
| eV | -574.031 | 0.450 | -573.580 | -583.289 | 0.439 | -582.850 | 9.258 | 0.011 | 9.270 | 0.000 | 583.289 |