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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 | -958.0586128 | -958.3891192 | 0.3305064 | 0.0000000 | 958.3891192 | ||||||
| cm-1 | 1122.6 | 841.4 | 281.2 | ||||||||
| eV | -26070.101 | 0.139 | -26069.961 | -26079.094 | 0.104 | -26078.990 | 8.994 | 0.035 | 9.028 | 0.000 | 26079.094 |