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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 | -91.6396903 | -92.1996748 | 0.5599845 | 0.0000000 | 92.1996748 | ||||||
| cm-1 | 1042.7 | 1062.0 | -19.3 | ||||||||
| eV | -2493.643 | 0.129 | -2493.514 | -2508.881 | 0.132 | -2508.749 | 15.238 | -0.002 | 15.236 | 0.000 | 2508.881 |