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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 | -430.9951812 | -431.3607997 | 0.3656185 | 0.0000000 | 431.3607997 | ||||||
| cm-1 | 607.9 | 656.6 | -48.8 | ||||||||
| eV | -11727.975 | 0.075 | -11727.900 | -11737.924 | 0.081 | -11737.843 | 9.949 | -0.006 | 9.943 | 0.000 | 11737.924 |