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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 | -114.6696317 | -115.0160234 | 0.3463916 | 0.0000000 | 115.0160234 | ||||||
| cm-1 | 10149.5 | 10849.0 | -699.5 | ||||||||
| eV | -3120.319 | 1.258 | -3119.061 | -3129.745 | 1.345 | -3128.400 | 9.426 | -0.087 | 9.339 | 0.000 | 3129.745 |