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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 | -38.7455923 | -39.1212203 | 0.3756280 | 0.0000000 | 39.1212203 | ||||||
| cm-1 | 3626.8 | 3825.2 | -198.4 | ||||||||
| eV | -1054.321 | 0.450 | -1053.872 | -1064.543 | 0.474 | -1064.068 | 10.221 | -0.025 | 10.197 | 0.000 | 1064.543 |