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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 | -6.1894219 | -6.5431723 | 0.3537504 | 0.0000000 | 6.5431723 | ||||||
| cm-1 | 3525.3 | 3618.0 | -92.7 | ||||||||
| eV | -168.423 | 0.437 | -167.986 | -178.049 | 0.449 | -177.600 | 9.626 | -0.011 | 9.615 | 0.000 | 178.049 |