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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 | -91.9739595 | -92.4810192 | 0.5070597 | 0.0000000 | 92.4810192 | ||||||
| cm-1 | 938.4 | 1024.3 | -85.8 | ||||||||
| eV | -2502.739 | 0.116 | -2502.622 | -2516.537 | 0.127 | -2516.410 | 13.798 | -0.011 | 13.787 | 0.000 | 2516.537 |