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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 | -116.1815307 | -116.4765142 | 0.2949835 | 0.0000000 | 116.4765142 | ||||||
| cm-1 | 14643.1 | 14184.7 | 458.5 | ||||||||
| eV | -3161.460 | 1.816 | -3159.645 | -3169.487 | 1.759 | -3167.728 | 8.027 | 0.057 | 8.084 | 0.000 | 3169.487 |