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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 | -91.9816945 | -92.4482166 | 0.4665221 | 0.0000000 | 92.4482166 | ||||||
| cm-1 | 1098.6 | 1344.4 | -245.8 | ||||||||
| eV | -2502.949 | 0.136 | -2502.813 | -2515.644 | 0.167 | -2515.477 | 12.695 | -0.030 | 12.664 | 0.000 | 2515.644 |