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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 | -113.9889080 | -114.3148924 | 0.3259844 | 0.0000000 | 114.3148924 | ||||||
| cm-1 | 691.2 | 613.4 | 77.8 | ||||||||
| eV | -3101.796 | 0.086 | -3101.710 | -3110.666 | 0.076 | -3110.590 | 8.870 | 0.010 | 8.880 | 0.000 | 3110.666 |