| |
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 | -153.0426413 | -153.4292505 | 0.3866092 | 0.0000000 | 153.4292505 | ||||||
| cm-1 | 11802.4 | 12204.8 | -402.4 | ||||||||
| eV | -4164.502 | 1.463 | -4163.039 | -4175.022 | 1.513 | -4173.509 | 10.520 | -0.050 | 10.470 | 0.000 | 4175.022 |