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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 | -138.9879481 | -139.5730131 | 0.5850651 | 0.0000000 | 139.5730131 | ||||||
| cm-1 | 7242.8 | 8644.6 | -1401.7 | ||||||||
| eV | -3782.054 | 0.898 | -3781.156 | -3797.975 | 1.072 | -3796.903 | 15.920 | -0.174 | 15.747 | 0.000 | 3797.975 |