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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 | -137.4674012 | -137.8065520 | 0.3391508 | 0.0000000 | 137.8065520 | ||||||
| cm-1 | 839.3 | 605.7 | 233.6 | ||||||||
| eV | -3740.678 | 0.104 | -3740.574 | -3749.907 | 0.075 | -3749.832 | 9.229 | 0.029 | 9.258 | 0.000 | 3749.907 |