| |
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 | -608.6977780 | -609.0826285 | 0.3848505 | 0.0000000 | 609.0826285 | ||||||
| cm-1 | 1692.0 | 1384.9 | 307.0 | ||||||||
| eV | -16563.509 | 0.210 | -16563.299 | -16573.981 | 0.172 | -16573.810 | 10.472 | 0.038 | 10.510 | 0.000 | 16573.981 |