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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 | -150.1826298 | -150.5927720 | 0.4101422 | 0.0000000 | 150.5927720 | ||||||
| cm-1 | 2895.3 | 3119.4 | -224.1 | ||||||||
| eV | -4086.677 | 0.359 | -4086.318 | -4097.838 | 0.387 | -4097.451 | 11.161 | -0.028 | 11.133 | 0.000 | 4097.838 |