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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 | -152.2077546 | -152.5754365 | 0.3676820 | 0.0000000 | 152.5754365 | ||||||
| cm-1 | 7825.1 | 8046.8 | -221.6 | ||||||||
| eV | -4141.784 | 0.970 | -4140.813 | -4151.789 | 0.998 | -4150.791 | 10.005 | -0.027 | 9.978 | 0.000 | 4151.789 |