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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 | -2690.1657380 | -2690.5318125 | 0.3660746 | 0.0000000 | 2690.5318125 | ||||||
| cm-1 | 274.8 | 280.3 | -5.5 | ||||||||
| eV | -73203.133 | 0.034 | -73203.098 | -73213.094 | 0.035 | -73213.059 | 9.961 | -0.001 | 9.961 | 0.000 | 73213.094 |