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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 | -162.5816339 | -162.8432879 | 0.2616539 | 0.0000000 | 162.8432879 | ||||||
| cm-1 | 133.1 | 564.5 | -431.4 | ||||||||
| eV | -4424.071 | 0.016 | -4424.055 | -4431.191 | 0.070 | -4431.121 | 7.120 | -0.053 | 7.066 | 0.000 | 4431.191 |