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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 | -10.5764412 | -10.8482549 | 0.2718138 | 0.0000000 | 10.8482549 | ||||||
| cm-1 | 221.1 | 248.3 | -27.2 | ||||||||
| eV | -287.800 | 0.027 | -287.772 | -295.196 | 0.031 | -295.165 | 7.396 | -0.003 | 7.393 | 0.000 | 295.196 |