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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 | -15.4790542 | -15.8926459 | 0.4135918 | 0.0000000 | 15.8926459 | ||||||
| cm-1 | 1680.8 | 2845.2 | -1164.3 | ||||||||
| eV | -421.206 | 0.208 | -420.998 | -432.461 | 0.353 | -432.108 | 11.254 | -0.144 | 11.110 | 0.000 | 432.461 |