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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 | -499.7529580 | -500.1644783 | 0.4115203 | -499.7501353 | 0.4143429 | ||||||
| cm-1 | 6988.2 | 7979.3 | -991.1 | ||||||||
| eV | -13598.970 | 0.866 | -13598.103 | -13610.168 | 0.989 | -13609.178 | 11.198 | -0.123 | 11.075 | -13598.893 | 11.275 |