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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 | -129.0259991 | -129.4392731 | 0.4132740 | 0.0000000 | 129.4392731 | ||||||
| cm-1 | 1375.1 | 18.8 | 1356.3 | ||||||||
| eV | -3510.976 | 0.170 | -3510.806 | -3522.222 | 0.002 | -3522.219 | 11.246 | 0.168 | 11.414 | 0.000 | 3522.222 |