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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 | -56.8896300 | -57.0001950 | 0.1105650 | 0.0000000 | 57.0001950 | ||||||
| cm-1 | 11028.7 | 6891.1 | 4137.6 | ||||||||
| eV | -1548.046 | 1.367 | -1546.678 | -1551.054 | 0.854 | -1550.200 | 3.009 | 0.513 | 3.522 | 0.000 | 1551.054 |