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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 | -99.8531317 | -100.4456556 | 0.5925239 | 0.0000000 | 100.4456556 | ||||||
| cm-1 | 1458.4 | 1975.8 | -517.4 | ||||||||
| eV | -2717.142 | 0.181 | -2716.961 | -2733.265 | 0.245 | -2733.020 | 16.123 | -0.064 | 16.059 | 0.000 | 2733.265 |