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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 | -2401.3664198 | -2401.7232014 | 0.3567816 | 0.0000000 | 2401.7232014 | ||||||
| cm-1 | 1118.3 | 1170.1 | -51.8 | ||||||||
| eV | -65344.503 | 0.139 | -65344.365 | -65354.212 | 0.145 | -65354.067 | 9.709 | -0.006 | 9.702 | 0.000 | 65354.212 |