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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 | -106.8031249 | -107.1933665 | 0.3902416 | 0.0000000 | 107.1933665 | ||||||
| cm-1 | 144.5 | 455.9 | -311.4 | ||||||||
| eV | -2906.261 | 0.018 | -2906.243 | -2916.880 | 0.057 | -2916.823 | 10.619 | -0.039 | 10.580 | 0.000 | 2916.880 |