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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 | -78.9585352 | -79.3821142 | 0.4235790 | 0.0000000 | 79.3821142 | ||||||
| cm-1 | 13647.6 | 15639.3 | -1991.7 | ||||||||
| eV | -2148.571 | 1.692 | -2146.879 | -2160.097 | 1.939 | -2158.158 | 11.526 | -0.247 | 11.279 | 0.000 | 2160.097 |