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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 | -139.0955540 | -139.5573921 | 0.4618381 | 0.0000000 | 139.5573921 | ||||||
| cm-1 | 7103.2 | 8372.8 | -1269.7 | ||||||||
| eV | -3784.983 | 0.881 | -3784.102 | -3797.550 | 1.038 | -3796.512 | 12.567 | -0.157 | 12.410 | 0.000 | 3797.550 |