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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 | -585.7059569 | -586.0363978 | 0.3304409 | 0.0000000 | 586.0363978 | ||||||
| cm-1 | 2054.6 | 1897.3 | 157.3 | ||||||||
| eV | -15937.870 | 0.255 | -15937.615 | -15946.861 | 0.235 | -15946.626 | 8.992 | 0.020 | 9.011 | 0.000 | 15946.861 |