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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 | -2578.5932607 | -2578.9304523 | 0.3371916 | 0.0000000 | 2578.9304523 | ||||||
| cm-1 | 154.7 | 279.4 | -124.7 | ||||||||
| eV | -70167.091 | 0.019 | -70167.072 | -70176.266 | 0.035 | -70176.232 | 9.175 | -0.015 | 9.160 | 0.000 | 70176.266 |