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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 | -77.9790816 | -78.3535776 | 0.3744960 | 0.0000000 | 78.3535776 | ||||||
| cm-1 | 10409.2 | 10776.2 | -367.1 | ||||||||
| eV | -2121.919 | 1.291 | -2120.628 | -2132.109 | 1.336 | -2130.773 | 10.191 | -0.046 | 10.145 | 0.000 | 2132.109 |