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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 | -1190.9167682 | -1191.2950310 | 0.3782628 | 0.0000000 | 1191.2950310 | ||||||
| cm-1 | 523.9 | 605.0 | -81.1 | ||||||||
| eV | -32406.493 | 0.065 | -32406.428 | -32416.786 | 0.075 | -32416.711 | 10.293 | -0.010 | 10.283 | 0.000 | 32416.786 |