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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 | -598.0113683 | -598.2976524 | 0.2862841 | 0.0000000 | 598.2976524 | ||||||
| cm-1 | 222.5 | 251.9 | -29.3 | ||||||||
| eV | -16272.717 | 0.028 | -16272.689 | -16280.507 | 0.031 | -16280.476 | 7.790 | -0.004 | 7.787 | 0.000 | 16280.507 |