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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 | -38.0943923 | -38.4990495 | 0.4046571 | 0.0000000 | 38.4990495 | ||||||
| cm-1 | 1354.7 | 1371.4 | -16.7 | ||||||||
| eV | -1036.601 | 0.168 | -1036.433 | -1047.612 | 0.170 | -1047.442 | 11.011 | -0.002 | 11.009 | 0.000 | 1047.612 |