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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 | -629.4884545 | -629.7942121 | 0.3057577 | 0.0000000 | 629.7942121 | ||||||
| cm-1 | 239.6 | 458.6 | -219.0 | ||||||||
| eV | -17129.252 | 0.030 | -17129.222 | -17137.572 | 0.057 | -17137.515 | 8.320 | -0.027 | 8.293 | 0.000 | 17137.572 |