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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 | -674.0220476 | -674.2476236 | 0.2255760 | 0.0000000 | 674.2476236 | ||||||
| cm-1 | 58.7 | 229.2 | -170.5 | ||||||||
| eV | -18341.073 | 0.007 | -18341.065 | -18347.211 | 0.028 | -18347.182 | 6.138 | -0.021 | 6.117 | 0.000 | 18347.211 |