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Computational Chemistry Comparison and Benchmark DataBase Release 22 (May 2022) Standard Reference Database 101 National Institute of Standards and Technology |
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| 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 | -112.5179660 | -112.8351652 | 0.3171993 | 0.0000000 | 112.8351652 | ||||||
| cm-1 | 4830.2 | 5438.4 | -608.2 | ||||||||
| eV | -3061.770 | 0.599 | -3061.171 | -3070.401 | 0.674 | -3069.727 | 8.631 | -0.075 | 8.556 | 0.000 | 3070.401 |