| |
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 | -683.8275972 | -684.2163888 | 0.3887916 | 0.0000000 | 684.2163888 | ||||||
| cm-1 | 291.7 | 318.7 | -27.0 | ||||||||
| eV | -18607.895 | 0.036 | -18607.859 | -18618.475 | 0.040 | -18618.435 | 10.580 | -0.003 | 10.576 | 0.000 | 18618.475 |