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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 | -1924.7787785 | -1925.0848708 | 0.3060923 | 0.0000000 | 1925.0848708 | ||||||
| cm-1 | 670.4 | 804.9 | -134.5 | ||||||||
| eV | -52375.894 | 0.083 | -52375.811 | -52384.223 | 0.100 | -52384.124 | 8.329 | -0.017 | 8.313 | 0.000 | 52384.223 |