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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 | -188.7824214 | -189.1259032 | 0.3434817 | 0.0000000 | 189.1259032 | ||||||
| cm-1 | 6686.2 | 6445.1 | 241.1 | ||||||||
| eV | -5137.031 | 0.829 | -5136.202 | -5146.378 | 0.799 | -5145.578 | 9.347 | 0.030 | 9.377 | 0.000 | 5146.378 |