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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 | -188.8193380 | -189.1134930 | 0.2941550 | 0.0000000 | 189.1134930 | ||||||
| cm-1 | 4570.5 | 4469.9 | 100.6 | ||||||||
| eV | -5138.035 | 0.567 | -5137.469 | -5146.040 | 0.554 | -5145.486 | 8.004 | 0.012 | 8.017 | 0.000 | 5146.040 |