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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 | -138.9570895 | -139.4075340 | 0.4504445 | 0.0000000 | 139.4075340 | ||||||
| cm-1 | 7206.7 | 8453.0 | -1246.3 | ||||||||
| eV | -3781.215 | 0.894 | -3780.321 | -3793.472 | 1.048 | -3792.424 | 12.257 | -0.155 | 12.103 | 0.000 | 3793.472 |