| |
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 | -129.4093406 | -129.7587676 | 0.3494270 | 0.0000000 | 129.7587676 | ||||||
| cm-1 | 1161.7 | 937.2 | 224.5 | ||||||||
| eV | -3521.407 | 0.144 | -3521.263 | -3530.916 | 0.116 | -3530.799 | 9.508 | 0.028 | 9.536 | 0.000 | 3530.916 |