| |
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 | -132.1972457 | -132.5634150 | 0.3661693 | 0.0000000 | 132.5634150 | ||||||
| cm-1 | 9071.8 | 9546.9 | -475.1 | ||||||||
| eV | -3597.270 | 1.125 | -3596.145 | -3607.234 | 1.184 | -3606.050 | 9.964 | -0.059 | 9.905 | 0.000 | 3607.234 |