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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 | -531.6224821 | -532.0002135 | 0.3777315 | 0.0000000 | 532.0002135 | ||||||
| cm-1 | 336.2 | 332.6 | 3.5 | ||||||||
| eV | -14466.183 | 0.042 | -14466.142 | -14476.462 | 0.041 | -14476.421 | 10.279 | 0.000 | 10.279 | 0.000 | 14476.462 |