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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 | -38.6649714 | -39.0358559 | 0.3708845 | 0.0000000 | 39.0358559 | ||||||
| cm-1 | 3491.2 | 3653.3 | -162.1 | ||||||||
| eV | -1052.127 | 0.433 | -1051.695 | -1062.220 | 0.453 | -1061.767 | 10.092 | -0.020 | 10.072 | 0.000 | 1062.220 |