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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 | -75.1650841 | -75.6315843 | 0.4665003 | 0.0000000 | 75.6315843 | ||||||
| cm-1 | 1487.4 | 1775.0 | -287.6 | ||||||||
| eV | -2045.346 | 0.184 | -2045.162 | -2058.040 | 0.220 | -2057.820 | 12.694 | -0.036 | 12.658 | 0.000 | 2058.040 |