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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 | -117.3811566 | -117.0714713 | -0.3096853 | -116.7641037 | 0.3073676 | ||||||
| cm-1 | 18718.2 | 16851.6 | 1866.6 | ||||||||
| eV | -3194.104 | 2.321 | -3191.783 | -3185.677 | 2.089 | -3183.587 | -8.427 | 0.231 | -8.196 | -3177.313 | 8.364 |