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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 | -114.5468127 | -114.8039073 | 0.2570946 | 0.0000000 | 114.8039073 | ||||||
| cm-1 | 8543.3 | 7955.2 | 588.1 | ||||||||
| eV | -3116.977 | 1.059 | -3115.918 | -3123.973 | 0.986 | -3122.987 | 6.996 | 0.073 | 7.069 | 0.000 | 3123.973 |