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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 | -91.6417248 | -92.2354422 | 0.5937173 | -91.6417242 | 0.5937180 | ||||||
| cm-1 | 988.2 | 917.0 | 71.2 | ||||||||
| eV | -2493.698 | 0.123 | -2493.576 | -2509.854 | 0.114 | -2509.740 | 16.156 | 0.009 | 16.165 | -2493.698 | 16.156 |