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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 | -99.6299274 | -100.2181085 | 0.5881810 | 0.0000000 | 100.2181085 | ||||||
| cm-1 | 1449.1 | 1934.0 | -484.9 | ||||||||
| eV | -2711.068 | 0.180 | -2710.889 | -2727.073 | 0.240 | -2726.834 | 16.005 | -0.060 | 15.945 | 0.000 | 2727.073 |