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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 | -106.9553644 | -107.3559223 | 0.4005579 | 0.0000000 | 107.3559223 | ||||||
| cm-1 | 143.7 | 439.8 | -296.1 | ||||||||
| eV | -2910.403 | 0.018 | -2910.386 | -2921.303 | 0.055 | -2921.249 | 10.900 | -0.037 | 10.863 | 0.000 | 2921.303 |