| |
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 | -317.0403414 | -317.4233153 | 0.3829739 | 0.0000000 | 317.4233153 | ||||||
| cm-1 | 477.4 | 448.0 | 29.4 | ||||||||
| eV | -8627.106 | 0.059 | -8627.047 | -8637.528 | 0.056 | -8637.472 | 10.421 | 0.004 | 10.425 | 0.000 | 8637.528 |