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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 | -91.5726702 | -92.1730072 | 0.6003370 | 0.0000000 | 92.1730072 | ||||||
| cm-1 | 907.8 | 758.0 | 149.8 | ||||||||
| eV | -2491.819 | 0.113 | -2491.707 | -2508.155 | 0.094 | -2508.061 | 16.336 | 0.019 | 16.355 | 0.000 | 2508.155 |