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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 | -188.6130972 | -188.9154548 | 0.3023576 | 0.0000000 | 188.9154548 | ||||||
| cm-1 | 4514.4 | 4411.3 | 103.0 | ||||||||
| eV | -5132.423 | 0.560 | -5131.864 | -5140.651 | 0.547 | -5140.104 | 8.228 | 0.013 | 8.240 | 0.000 | 5140.651 |