| |
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 | -116.6952565 | -116.3497921 | -0.3454643 | 0.0000000 | 116.3497921 | ||||||
| cm-1 | 18533.0 | 17058.6 | 1474.5 | ||||||||
| eV | -3175.439 | 2.298 | -3173.142 | -3166.039 | 2.115 | -3163.924 | -9.401 | 0.183 | -9.218 | 0.000 | 3166.039 |