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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 | -117.4298414 | -117.1204323 | -0.3094091 | 0.0000000 | 117.1204323 | ||||||
| cm-1 | 18656.9 | 16781.9 | 1875.1 | ||||||||
| eV | -3195.428 | 2.313 | -3193.115 | -3187.009 | 2.081 | -3184.928 | -8.419 | 0.232 | -8.187 | 0.000 | 3187.009 |