| |
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 | -5144.4356838 | -5144.8115949 | 0.3759111 | 0.0000000 | 5144.8115949 | ||||||
| cm-1 | 188.3 | 158.7 | 29.6 | ||||||||
| eV | -139987.214 | 0.023 | -139987.191 | -139997.443 | 0.020 | -139997.424 | 10.229 | 0.004 | 10.233 | 0.000 | 139997.443 |