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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 | -38.7119979 | -39.0928180 | 0.3808201 | 0.0000000 | 39.0928180 | ||||||
| cm-1 | 3552.0 | 3740.9 | -188.9 | ||||||||
| eV | -1053.407 | 0.440 | -1052.967 | -1063.770 | 0.464 | -1063.306 | 10.363 | -0.023 | 10.339 | 0.000 | 1063.770 |