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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 | -2690.7899878 | -2691.1619766 | 0.3719888 | 0.0000000 | 2691.1619766 | ||||||
| cm-1 | 274.5 | 290.5 | -16.0 | ||||||||
| eV | -73220.119 | 0.034 | -73220.085 | -73230.242 | 0.036 | -73230.206 | 10.122 | -0.002 | 10.120 | 0.000 | 73230.242 |