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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 | -26.0111235 | -26.4622638 | 0.4511403 | 0.0000000 | 26.4622638 | ||||||
| cm-1 | 4344.2 | 5589.8 | -1245.6 | ||||||||
| eV | -707.799 | 0.539 | -707.260 | -720.075 | 0.693 | -719.382 | 12.276 | -0.154 | 12.122 | 0.000 | 720.075 |