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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 | -597.9474873 | -598.2698754 | 0.3223880 | 0.0000000 | 598.2698754 | ||||||
| cm-1 | 4125.8 | 3782.8 | 342.9 | ||||||||
| eV | -16270.979 | 0.512 | -16270.467 | -16279.751 | 0.469 | -16279.282 | 8.773 | 0.043 | 8.815 | 0.000 | 16279.751 |