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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 | -395.9804224 | -396.3353696 | 0.3549472 | 0.0000000 | 396.3353696 | ||||||
| cm-1 | 1218.3 | 1265.3 | -47.0 | ||||||||
| eV | -10775.175 | 0.151 | -10775.024 | -10784.834 | 0.157 | -10784.677 | 9.659 | -0.006 | 9.653 | 0.000 | 10784.834 |