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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 | -237.1714158 | -237.5767047 | 0.4052889 | 0.0000000 | 237.5767047 | ||||||
| cm-1 | 1811.8 | 1487.9 | 323.9 | ||||||||
| eV | -6453.762 | 0.225 | -6453.538 | -6464.791 | 0.184 | -6464.606 | 11.028 | 0.040 | 11.069 | 0.000 | 6464.791 |