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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 | -189.2928051 | -189.6555220 | 0.3627169 | 0.0000000 | 189.6555220 | ||||||
| cm-1 | 6561.5 | 6576.9 | -15.4 | ||||||||
| eV | -5150.919 | 0.814 | -5150.106 | -5160.789 | 0.815 | -5159.974 | 9.870 | -0.002 | 9.868 | 0.000 | 5160.789 |