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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 | -15.4976892 | -15.9158222 | 0.4181329 | 0.0000000 | 15.9158222 | ||||||
| cm-1 | 1849.4 | 2763.7 | -914.3 | ||||||||
| eV | -421.714 | 0.229 | -421.484 | -433.092 | 0.343 | -432.749 | 11.378 | -0.113 | 11.265 | 0.000 | 433.092 |