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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 | -7.7390766 | -8.0144212 | 0.2753446 | 0.0000000 | 8.0144212 | ||||||
| cm-1 | 195.7 | 656.8 | -461.1 | ||||||||
| eV | -210.591 | 0.024 | -210.567 | -218.083 | 0.081 | -218.002 | 7.493 | -0.057 | 7.435 | 0.000 | 218.083 |