| |
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 | -397.1441320 | -397.5266261 | 0.3824941 | 0.0000000 | 397.5266261 | ||||||
| cm-1 | 3124.0 | 3210.2 | -86.2 | ||||||||
| eV | -10806.841 | 0.387 | -10806.454 | -10817.250 | 0.398 | -10816.852 | 10.408 | -0.011 | 10.398 | 0.000 | 10817.250 |