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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 | -2646.4244971 | -2646.8049320 | 0.3804350 | 0.0000000 | 2646.8049320 | ||||||
| cm-1 | 481.9 | 375.4 | 106.5 | ||||||||
| eV | -72012.873 | 0.060 | -72012.813 | -72023.225 | 0.047 | -72023.178 | 10.352 | 0.013 | 10.365 | 0.000 | 72023.225 |