| |
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 | -48.9438209 | -49.2739838 | 0.3301629 | 0.0000000 | 49.2739838 | ||||||
| cm-1 | 211.3 | 498.7 | -287.4 | ||||||||
| eV | -1331.829 | 0.026 | -1331.803 | -1340.813 | 0.062 | -1340.751 | 8.984 | -0.036 | 8.949 | 0.000 | 1340.813 |