| |
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 | -340.4939679 | -340.8139895 | 0.3200216 | 0.0000000 | 340.8139895 | ||||||
| cm-1 | 5170.3 | 5203.9 | -33.6 | ||||||||
| eV | -9265.312 | 0.641 | -9264.671 | -9274.020 | 0.645 | -9273.375 | 8.708 | -0.004 | 8.704 | 0.000 | 9274.020 |