|   | 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 | -52.9000784 | -53.3120393 | 0.4119609 | 0.0000000 | 53.3120393 | ||||||
| cm-1 | 11754.7 | 13350.7 | -1595.9 | ||||||||
| eV | -1439.484 | 1.457 | -1438.027 | -1450.694 | 1.655 | -1449.039 | 11.210 | -0.198 | 11.012 | 0.000 | 1450.694 |