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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 | -92.7252133 | -93.2125725 | 0.4873591 | 0.0000000 | 93.2125725 | ||||||
| cm-1 | 2978.3 | 3355.2 | -376.9 | ||||||||
| eV | -2523.181 | 0.369 | -2522.812 | -2536.443 | 0.416 | -2536.027 | 13.262 | -0.047 | 13.215 | 0.000 | 2536.443 |