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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 | -153.2888585 | -153.6679640 | 0.3791054 | 0.0000000 | 153.6679640 | ||||||
| cm-1 | 11189.1 | 12057.4 | -868.3 | ||||||||
| eV | -4171.202 | 1.387 | -4169.815 | -4181.518 | 1.495 | -4180.023 | 10.316 | -0.108 | 10.208 | 0.000 | 4181.518 |