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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 | -472.0269929 | -472.4023260 | 0.3753331 | 0.0000000 | 472.4023260 | ||||||
| cm-1 | 750.5 | 610.7 | 139.7 | ||||||||
| eV | -12844.508 | 0.093 | -12844.415 | -12854.721 | 0.076 | -12854.645 | 10.213 | 0.017 | 10.231 | 0.000 | 12854.721 |