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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 | -288.7387973 | -289.0671180 | 0.3283206 | 0.0000000 | 289.0671180 | ||||||
| cm-1 | 2489.9 | 2300.8 | 189.1 | ||||||||
| eV | -7856.982 | 0.309 | -7856.674 | -7865.916 | 0.285 | -7865.631 | 8.934 | 0.023 | 8.957 | 0.000 | 7865.916 |