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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 | -152.4018894 | -152.7256000 | 0.3237106 | 0.0000000 | 152.7256000 | ||||||
| cm-1 | 3918.7 | 3622.0 | 296.7 | ||||||||
| eV | -4147.066 | 0.486 | -4146.580 | -4155.875 | 0.449 | -4155.426 | 8.809 | 0.037 | 8.845 | 0.000 | 4155.875 |