| |
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 | -99.7524279 | -100.3308508 | 0.5784229 | 0.0000000 | 100.3308508 | ||||||
| cm-1 | 1488.2 | 1974.7 | -486.5 | ||||||||
| eV | -2714.402 | 0.185 | -2714.217 | -2730.141 | 0.245 | -2729.896 | 15.740 | -0.060 | 15.679 | 0.000 | 2730.141 |