| |
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 | -673.9943231 | -674.2248211 | 0.2304980 | 0.0000000 | 674.2248211 | ||||||
| cm-1 | 62.5 | 243.1 | -180.7 | ||||||||
| eV | -18340.318 | 0.008 | -18340.311 | -18346.590 | 0.030 | -18346.560 | 6.272 | -0.022 | 6.250 | 0.000 | 18346.590 |