| |
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 | -229.7067107 | -230.0250950 | 0.3183843 | 0.0000000 | 230.0250950 | ||||||
| cm-1 | 14649.4 | 14852.9 | -203.5 | ||||||||
| eV | -6250.637 | 1.816 | -6248.821 | -6259.301 | 1.842 | -6257.460 | 8.664 | -0.025 | 8.638 | 0.000 | 6259.301 |