| |
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 | -364.2565047 | -364.6766413 | 0.4201367 | 0.0000000 | 364.6766413 | ||||||
| cm-1 | 555.5 | 604.8 | -49.3 | ||||||||
| eV | -9911.924 | 0.069 | -9911.855 | -9923.356 | 0.075 | -9923.281 | 11.432 | -0.006 | 11.426 | 0.000 | 9923.356 |