| |
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 | -116.9321756 | -117.2266070 | 0.2944314 | 0.0000000 | 117.2266070 | ||||||
| cm-1 | 14385.0 | 13902.8 | 482.2 | ||||||||
| eV | -3181.886 | 1.784 | -3180.103 | -3189.898 | 1.724 | -3188.174 | 8.012 | 0.060 | 8.072 | 0.000 | 3189.898 |