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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 | -38.7464861 | -39.1238224 | 0.3773362 | 0.0000000 | 39.1238224 | ||||||
| cm-1 | 3502.5 | 3667.6 | -165.2 | ||||||||
| eV | -1054.346 | 0.434 | -1053.911 | -1064.613 | 0.455 | -1064.159 | 10.268 | -0.020 | 10.247 | 0.000 | 1064.613 |