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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 | -187.9919798 | -188.3368028 | 0.3448230 | 0.0000000 | 188.3368028 | ||||||
| cm-1 | 6149.3 | 6200.2 | -50.9 | ||||||||
| eV | -5115.522 | 0.762 | -5114.760 | -5124.905 | 0.769 | -5124.136 | 9.383 | -0.006 | 9.377 | 0.000 | 5124.905 |