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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 | -150.3476384 | -150.7563663 | 0.4087278 | 0.0000000 | 150.7563663 | ||||||
| cm-1 | 2754.1 | 2997.8 | -243.7 | ||||||||
| eV | -4091.167 | 0.341 | -4090.826 | -4102.289 | 0.372 | -4101.918 | 11.122 | -0.030 | 11.092 | 0.000 | 4102.289 |