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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 | -12.9176410 | -13.2359444 | 0.3183034 | 0.0000000 | 13.2359444 | ||||||
| cm-1 | 10481.3 | 10785.2 | -303.9 | ||||||||
| eV | -351.507 | 1.300 | -350.207 | -360.168 | 1.337 | -358.831 | 8.661 | -0.038 | 8.624 | 0.000 | 360.168 |