| |
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 | -169.9403615 | -170.3212555 | 0.3808940 | 0.0000000 | 170.3212555 | ||||||
| cm-1 | 10276.1 | 10598.4 | -322.3 | ||||||||
| eV | -4624.312 | 1.274 | -4623.038 | -4634.677 | 1.314 | -4633.363 | 10.365 | -0.040 | 10.325 | 0.000 | 4634.677 |