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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 | -38.6466470 | -39.0192709 | 0.3726239 | 0.0000000 | 39.0192709 | ||||||
| cm-1 | 3727.6 | 3901.2 | -173.7 | ||||||||
| eV | -1051.629 | 0.462 | -1051.167 | -1061.768 | 0.484 | -1061.285 | 10.140 | -0.022 | 10.118 | 0.000 | 1061.768 |