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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 | -76.8398259 | -77.1426720 | 0.3028461 | 0.0000000 | 77.1426720 | ||||||
| cm-1 | 7417.5 | 7791.8 | -374.3 | ||||||||
| eV | -2090.918 | 0.920 | -2089.998 | -2099.159 | 0.966 | -2098.193 | 8.241 | -0.046 | 8.194 | 0.000 | 2099.159 |