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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 | -399.0318584 | -399.2562914 | 0.2244331 | 0.0000000 | 399.2562914 | ||||||
| cm-1 | 101.8 | 28.0 | 73.9 | ||||||||
| eV | -10858.209 | 0.013 | -10858.196 | -10864.316 | 0.003 | -10864.313 | 6.107 | 0.009 | 6.116 | 0.000 | 10864.316 |