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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 | -153.3468647 | -153.5995965 | 0.2527318 | 0.0000000 | 153.5995965 | ||||||
| cm-1 | 14350.0 | 13868.3 | 481.7 | ||||||||
| eV | -4172.780 | 1.779 | -4171.001 | -4179.658 | 1.719 | -4177.938 | 6.877 | 0.060 | 6.937 | 0.000 | 4179.658 |