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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 | -129.4237196 | -129.7931381 | 0.3694185 | 0.0000000 | 129.7931381 | ||||||
| cm-1 | 1117.5 | 898.6 | 218.9 | ||||||||
| eV | -3521.799 | 0.139 | -3521.660 | -3531.851 | 0.111 | -3531.739 | 10.052 | 0.027 | 10.080 | 0.000 | 3531.851 |