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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 | -499.6302801 | -500.0495701 | 0.4192900 | 0.0000000 | 500.0495701 | ||||||
| cm-1 | 7634.7 | 8462.2 | -827.5 | ||||||||
| eV | -13595.631 | 0.947 | -13594.685 | -13607.041 | 1.049 | -13605.992 | 11.409 | -0.103 | 11.307 | 0.000 | 13607.041 |