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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 | -127.2042622 | -127.5527599 | 0.3484977 | 0.0000000 | 127.5527599 | ||||||
| cm-1 | 1022.1 | 483.1 | 539.1 | ||||||||
| eV | -3461.404 | 0.127 | -3461.277 | -3470.887 | 0.060 | -3470.827 | 9.483 | 0.067 | 9.550 | 0.000 | 3470.887 |