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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 | -113.9984450 | -114.3285598 | 0.3301148 | 0.0000000 | 114.3285598 | ||||||
| cm-1 | 661.6 | 568.8 | 92.8 | ||||||||
| eV | -3102.055 | 0.082 | -3101.973 | -3111.038 | 0.071 | -3110.968 | 8.983 | 0.012 | 8.994 | 0.000 | 3111.038 |