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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 | -89.5747899 | -89.9314692 | 0.3566793 | 0.0000000 | 89.9314692 | ||||||
| cm-1 | 610.4 | 738.5 | -128.1 | ||||||||
| eV | -2437.454 | 0.076 | -2437.378 | -2447.160 | 0.092 | -2447.068 | 9.706 | -0.016 | 9.690 | 0.000 | 2447.160 |