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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 | -26.1629722 | -26.6014955 | 0.4385233 | 0.0000000 | 26.6014955 | ||||||
| cm-1 | 4496.3 | 5491.9 | -995.5 | ||||||||
| eV | -711.931 | 0.557 | -711.373 | -723.864 | 0.681 | -723.183 | 11.933 | -0.123 | 11.809 | 0.000 | 723.864 |