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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 | -389.0375008 | -389.3130353 | 0.2755345 | 0.0000000 | 389.3130353 | ||||||
| cm-1 | 485.1 | 393.3 | 91.9 | ||||||||
| eV | -10586.249 | 0.060 | -10586.189 | -10593.746 | 0.049 | -10593.698 | 7.498 | 0.011 | 7.509 | 0.000 | 10593.746 |