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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 | -153.2431888 | -153.6138456 | 0.3706568 | 0.0000000 | 153.6138456 | ||||||
| cm-1 | 11239.2 | 12101.1 | -861.9 | ||||||||
| eV | -4169.959 | 1.393 | -4168.566 | -4180.045 | 1.500 | -4178.545 | 10.086 | -0.107 | 9.979 | 0.000 | 4180.045 |