| |
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 | -25.9817530 | -26.3913223 | 0.4095694 | 0.0000000 | 26.3913223 | ||||||
| cm-1 | 4127.0 | 5418.3 | -1291.3 | ||||||||
| eV | -706.999 | 0.512 | -706.488 | -718.144 | 0.672 | -717.473 | 11.145 | -0.160 | 10.985 | 0.000 | 718.144 |