| |
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 | -1415.9472069 | -1416.2502498 | 0.3030429 | -1415.9196294 | 0.3306204 | ||||||
| cm-1 | 1843.9 | 1573.8 | 270.2 | ||||||||
| eV | -38529.883 | 0.229 | -38529.654 | -38538.129 | 0.195 | -38537.934 | 8.246 | 0.033 | 8.280 | -38529.133 | 8.997 |