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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 | -153.3894430 | -153.7716310 | 0.3821880 | 0.0000000 | 153.7716310 | ||||||
| cm-1 | 11472.8 | 12133.8 | -661.0 | ||||||||
| eV | -4173.939 | 1.422 | -4172.517 | -4184.339 | 1.504 | -4182.834 | 10.400 | -0.082 | 10.318 | 0.000 | 4184.339 |