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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 | -958.0186831 | -958.3455023 | 0.3268192 | 0.0000000 | 958.3455023 | ||||||
| cm-1 | 1089.5 | 797.0 | 292.5 | ||||||||
| eV | -26069.014 | 0.135 | -26068.879 | -26077.907 | 0.099 | -26077.809 | 8.893 | 0.036 | 8.929 | 0.000 | 26077.907 |