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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 | -25.8706669 | -26.3073642 | 0.4366973 | 0.0000000 | 26.3073642 | ||||||
| cm-1 | 3942.1 | 5406.4 | -1464.3 | ||||||||
| eV | -703.977 | 0.489 | -703.488 | -715.860 | 0.670 | -715.189 | 11.883 | -0.182 | 11.702 | 0.000 | 715.860 |