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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 | -77.3527808 | -77.6567337 | 0.3039529 | 0.0000000 | 77.6567337 | ||||||
| cm-1 | 7258.3 | 7973.6 | -715.3 | ||||||||
| eV | -2104.876 | 0.900 | -2103.976 | -2113.147 | 0.989 | -2112.159 | 8.271 | -0.089 | 8.182 | 0.000 | 2113.147 |