| |
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 | -396.3974866 | -396.7810084 | 0.3835218 | 0.0000000 | 396.7810084 | ||||||
| cm-1 | 1112.6 | 1178.6 | -66.0 | ||||||||
| eV | -10786.524 | 0.138 | -10786.386 | -10796.960 | 0.146 | -10796.814 | 10.436 | -0.008 | 10.428 | 0.000 | 10796.960 |