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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 | -659.8398672 | -660.1268131 | 0.2869459 | 0.0000000 | 660.1268131 | ||||||
| cm-1 | 267.4 | 219.1 | 48.3 | ||||||||
| eV | -17955.156 | 0.033 | -17955.123 | -17962.964 | 0.027 | -17962.937 | 7.808 | 0.006 | 7.814 | 0.000 | 17962.964 |