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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 | -109.0377251 | -109.3369226 | 0.2991975 | 0.0000000 | 109.3369226 | ||||||
| cm-1 | 3393.9 | 2620.6 | 773.3 | ||||||||
| eV | -2967.067 | 0.421 | -2966.647 | -2975.209 | 0.325 | -2974.884 | 8.142 | 0.096 | 8.237 | 0.000 | 2975.209 |