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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 | -151.1501444 | -151.5234805 | 0.3733361 | 0.0000000 | 151.5234805 | ||||||
| cm-1 | 5856.3 | 5678.5 | 177.9 | ||||||||
| eV | -4113.005 | 0.726 | -4112.279 | -4123.164 | 0.704 | -4122.460 | 10.159 | 0.022 | 10.181 | 0.000 | 4123.164 |