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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 | -153.9587732 | -154.4070058 | 0.4482326 | 0.0000000 | 154.4070058 | ||||||
| cm-1 | 751.8 | 558.0 | 193.7 | ||||||||
| eV | -4189.431 | 0.093 | -4189.338 | -4201.628 | 0.069 | -4201.559 | 12.197 | 0.024 | 12.221 | 0.000 | 4201.628 |