| |
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 | -92.5066835 | -92.9006347 | 0.3939512 | 0.0000000 | 92.9006347 | ||||||
| cm-1 | 3333.0 | 3366.0 | -32.9 | ||||||||
| eV | -2517.235 | 0.413 | -2516.822 | -2527.955 | 0.417 | -2527.538 | 10.720 | -0.004 | 10.716 | 0.000 | 2527.955 |