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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 | -96.2191703 | -96.3217558 | 0.1025855 | 0.0000000 | 96.3217558 | ||||||
| cm-1 | 16844.7 | 11061.4 | 5783.3 | ||||||||
| eV | -2618.257 | 2.088 | -2616.168 | -2621.048 | 1.371 | -2619.677 | 2.791 | 0.717 | 3.509 | 0.000 | 2621.048 |