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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 | -558.4986161 | -558.9853463 | 0.4867302 | 0.0000000 | 558.9853463 | ||||||
| cm-1 | 925.7 | 312.8 | 612.8 | ||||||||
| eV | -15197.520 | 0.115 | -15197.405 | -15210.765 | 0.039 | -15210.726 | 13.245 | 0.076 | 13.321 | 0.000 | 15210.765 |