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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 | -352.7013944 | -353.1440644 | 0.4426700 | 0.0000000 | 353.1440644 | ||||||
| cm-1 | 2623.4 | 2375.6 | 247.8 | ||||||||
| eV | -9597.493 | 0.325 | -9597.168 | -9609.539 | 0.295 | -9609.244 | 12.046 | 0.031 | 12.076 | 0.000 | 9609.539 |