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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 | -2149.3962348 | -2149.8034532 | 0.4072184 | 0.0000000 | 2149.8034532 | ||||||
| cm-1 | 419.8 | 461.0 | -41.2 | ||||||||
| eV | -58488.046 | 0.052 | -58487.994 | -58499.127 | 0.057 | -58499.070 | 11.081 | -0.005 | 11.076 | 0.000 | 58499.127 |