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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 | -38.6674561 | -39.0392571 | 0.3718010 | 0.0000000 | 39.0392571 | ||||||
| cm-1 | 3512.2 | 3682.1 | -169.9 | ||||||||
| eV | -1052.195 | 0.435 | -1051.760 | -1062.312 | 0.457 | -1061.856 | 10.117 | -0.021 | 10.096 | 0.000 | 1062.312 |