| |
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 | -24.8873008 | -25.2045701 | 0.3172693 | 0.0000000 | 25.2045701 | ||||||
| cm-1 | 1208.8 | 2374.7 | -1165.9 | ||||||||
| eV | -677.218 | 0.150 | -677.068 | -685.851 | 0.294 | -685.557 | 8.633 | -0.145 | 8.489 | 0.000 | 685.851 |