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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 | -132.1596037 | -132.5193381 | 0.3597344 | 0.0000000 | 132.5193381 | ||||||
| cm-1 | 9054.4 | 9488.1 | -433.7 | ||||||||
| eV | -3596.246 | 1.123 | -3595.123 | -3606.035 | 1.176 | -3604.858 | 9.789 | -0.054 | 9.735 | 0.000 | 3606.035 |