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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 | -131.0853900 | -131.4207122 | 0.3353222 | 0.0000000 | 131.4207122 | ||||||
| cm-1 | 8528.7 | 8606.4 | -77.6 | ||||||||
| eV | -3567.015 | 1.057 | -3565.957 | -3576.139 | 1.067 | -3575.072 | 9.125 | -0.010 | 9.115 | 0.000 | 3576.139 |