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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 | -682.7252979 | -683.0949115 | 0.3696136 | 0.0000000 | 683.0949115 | ||||||
| cm-1 | 285.7 | 297.3 | -11.6 | ||||||||
| eV | -18577.900 | 0.035 | -18577.865 | -18587.958 | 0.037 | -18587.921 | 10.058 | -0.001 | 10.056 | 0.000 | 18587.958 |