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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 | -323.5624036 | -323.7261078 | 0.1637042 | 0.0000000 | 323.7261078 | ||||||
| cm-1 | 57.2 | 75.4 | -18.2 | ||||||||
| eV | -8804.581 | 0.007 | -8804.574 | -8809.035 | 0.009 | -8809.026 | 4.455 | -0.002 | 4.452 | 0.000 | 8809.035 |