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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 | -14.6786549 | -14.9480682 | 0.2694134 | 0.0000000 | 14.9480682 | ||||||
| cm-1 | 1055.5 | 1091.3 | -35.8 | ||||||||
| eV | -399.427 | 0.131 | -399.296 | -406.758 | 0.135 | -406.622 | 7.331 | -0.004 | 7.327 | 0.000 | 406.758 |