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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 | -152.6033669 | -152.9335324 | 0.3301656 | 0.0000000 | 152.9335324 | ||||||
| cm-1 | 11831.4 | 12240.8 | -409.4 | ||||||||
| eV | -4152.549 | 1.467 | -4151.082 | -4161.533 | 1.518 | -4160.015 | 8.984 | -0.051 | 8.934 | 0.000 | 4161.533 |