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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 | -609.1222659 | -609.4790650 | 0.3567991 | 0.0000000 | 609.4790650 | ||||||
| cm-1 | 1190.3 | 1156.6 | 33.6 | ||||||||
| eV | -16575.060 | 0.148 | -16574.912 | -16584.769 | 0.143 | -16584.625 | 9.709 | 0.004 | 9.713 | 0.000 | 16584.769 |