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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 | -38.6900450 | -39.0690130 | 0.3789680 | 0.0000000 | 39.0690130 | ||||||
| cm-1 | 3913.7 | 4044.4 | -130.8 | ||||||||
| eV | -1052.810 | 0.485 | -1052.324 | -1063.122 | 0.501 | -1062.620 | 10.312 | -0.016 | 10.296 | 0.000 | 1063.122 |