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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 | -132.2997572 | -132.6642591 | 0.3645019 | 0.0000000 | 132.6642591 | ||||||
| cm-1 | 9044.4 | 9506.4 | -462.0 | ||||||||
| eV | -3600.059 | 1.121 | -3598.938 | -3609.978 | 1.179 | -3608.799 | 9.919 | -0.057 | 9.861 | 0.000 | 3609.978 |