| |
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 | -0.6012468 | -1.1648958 | 0.5636490 | 0.0000000 | 1.1648958 | ||||||
| cm-1 | 1149.3 | 2090.6 | -941.3 | ||||||||
| eV | -16.361 | 0.142 | -16.218 | -31.698 | 0.259 | -31.439 | 15.338 | -0.117 | 15.221 | 0.000 | 31.698 |