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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 | -204.3718153 | -204.7379609 | 0.3661457 | 0.0000000 | 204.7379609 | ||||||
| cm-1 | 4227.2 | 4578.2 | -351.0 | ||||||||
| eV | -5561.240 | 0.524 | -5560.716 | -5571.203 | 0.568 | -5570.636 | 9.963 | -0.044 | 9.920 | 0.000 | 5571.203 |