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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 | -160.6912438 | -161.0598782 | 0.3686343 | 0.0000000 | 161.0598782 | ||||||
| cm-1 | 1063.2 | 1673.4 | -610.2 | ||||||||
| eV | -4372.631 | 0.132 | -4372.499 | -4382.662 | 0.207 | -4382.455 | 10.031 | -0.076 | 9.955 | 0.000 | 4382.662 |