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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 | -108.7661030 | -109.3496223 | 0.5835192 | 0.0000000 | 109.3496223 | ||||||
| cm-1 | 1149.5 | 1196.1 | -46.6 | ||||||||
| eV | -2959.676 | 0.143 | -2959.534 | -2975.555 | 0.148 | -2975.406 | 15.878 | -0.006 | 15.873 | 0.000 | 2975.555 |