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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 | -23.4208144 | -23.8176458 | 0.3968313 | 0.0000000 | 23.8176458 | ||||||
| cm-1 | 10118.3 | 10891.3 | -773.0 | ||||||||
| eV | -637.313 | 1.255 | -636.058 | -648.111 | 1.350 | -646.761 | 10.798 | -0.096 | 10.702 | 0.000 | 648.111 |