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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 | -2176.8317713 | -2177.1026427 | 0.2708714 | 0.0000000 | 2177.1026427 | ||||||
| cm-1 | 378.1 | 315.6 | 62.5 | ||||||||
| eV | -59234.605 | 0.047 | -59234.558 | -59241.976 | 0.039 | -59241.937 | 7.371 | 0.008 | 7.379 | 0.000 | 59241.976 |