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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 | -54.7292852 | -55.0774516 | 0.3481665 | 0.0000000 | 55.0774516 | ||||||
| cm-1 | 3366.9 | 3869.1 | -502.1 | ||||||||
| eV | -1489.260 | 0.417 | -1488.842 | -1498.734 | 0.480 | -1498.254 | 9.474 | -0.062 | 9.412 | 0.000 | 1498.734 |