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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 | -114.0779754 | -114.4693704 | 0.3913950 | 0.0000000 | 114.4693704 | ||||||
| cm-1 | 5051.2 | 5575.8 | -524.6 | ||||||||
| eV | -3104.220 | 0.626 | -3103.593 | -3114.870 | 0.691 | -3114.179 | 10.650 | -0.065 | 10.585 | 0.000 | 3114.870 |