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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 | -77.5591783 | -77.8777826 | 0.3186043 | 0.0000000 | 77.8777826 | ||||||
| cm-1 | 7210.5 | 7739.7 | -529.2 | ||||||||
| eV | -2110.493 | 0.894 | -2109.599 | -2119.162 | 0.960 | -2118.203 | 8.670 | -0.066 | 8.604 | 0.000 | 2119.162 |