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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 | -640.2087347 | -640.5666921 | 0.3579575 | 0.0000000 | 640.5666921 | ||||||
| cm-1 | 306.0 | 297.1 | 8.9 | ||||||||
| eV | -17420.966 | 0.038 | -17420.928 | -17430.706 | 0.037 | -17430.669 | 9.741 | 0.001 | 9.742 | 0.000 | 17430.706 |