| |
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 | -152.1004278 | -152.3612391 | 0.2608113 | 0.0000000 | 152.3612391 | ||||||
| cm-1 | 9306.0 | 9053.5 | 252.5 | ||||||||
| eV | -4138.863 | 1.154 | -4137.709 | -4145.960 | 1.122 | -4144.838 | 7.097 | 0.031 | 7.128 | 0.000 | 4145.960 |