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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 | -114.3188161 | -114.5782640 | 0.2594479 | 0.0000000 | 114.5782640 | ||||||
| cm-1 | 8471.4 | 7788.7 | 682.7 | ||||||||
| eV | -3110.773 | 1.050 | -3109.723 | -3117.833 | 0.966 | -3116.867 | 7.060 | 0.085 | 7.145 | 0.000 | 3117.833 |