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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 | -130.7330164 | -131.0277204 | 0.2947040 | 0.0000000 | 131.0277204 | ||||||
| cm-1 | 10047.0 | 8787.3 | 1259.7 | ||||||||
| eV | -3557.426 | 1.246 | -3556.181 | -3565.446 | 1.089 | -3564.356 | 8.019 | 0.156 | 8.175 | 0.000 | 3565.446 |