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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 | -2660.4062163 | -2660.6770925 | 0.2708762 | 0.0000000 | 2660.6770925 | ||||||
| cm-1 | 232.8 | 299.1 | -66.3 | ||||||||
| eV | -72393.335 | 0.029 | -72393.306 | -72400.706 | 0.037 | -72400.669 | 7.371 | -0.008 | 7.363 | 0.000 | 72400.706 |