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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 | -23.1027163 | -23.4474770 | 0.3447607 | 0.0000000 | 23.4474770 | ||||||
| cm-1 | 10169.2 | 10853.7 | -684.5 | ||||||||
| eV | -628.657 | 1.261 | -627.396 | -638.038 | 1.346 | -636.693 | 9.381 | -0.085 | 9.297 | 0.000 | 638.038 |