| |
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 | -760.3113584 | -760.5446794 | 0.2333210 | 0.0000000 | 760.5446794 | ||||||
| cm-1 | 832.4 | 833.8 | -1.4 | ||||||||
| eV | -20689.124 | 0.103 | -20689.021 | -20695.473 | 0.103 | -20695.370 | 6.349 | -0.000 | 6.349 | 0.000 | 20695.473 |