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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 | -558.4634422 | -558.9019052 | 0.4384629 | 0.0000000 | 558.9019052 | ||||||
| cm-1 | 465.8 | 412.6 | 53.2 | ||||||||
| eV | -15196.563 | 0.058 | -15196.505 | -15208.494 | 0.051 | -15208.443 | 11.931 | 0.007 | 11.938 | 0.000 | 15208.494 |