| |
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 | -37.9013904 | -38.2754408 | 0.3740505 | 0.0000000 | 38.2754408 | ||||||
| cm-1 | 1398.2 | 1384.3 | 13.9 | ||||||||
| eV | -1031.349 | 0.173 | -1031.176 | -1041.528 | 0.172 | -1041.356 | 10.178 | 0.002 | 10.180 | 0.000 | 1041.528 |