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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 | -19.5294966 | -19.8756223 | 0.3461257 | 0.0000000 | 19.8756223 | ||||||
| cm-1 | 431.3 | 364.6 | 66.7 | ||||||||
| eV | -531.425 | 0.053 | -531.371 | -540.843 | 0.045 | -540.798 | 9.419 | 0.008 | 9.427 | 0.000 | 540.843 |