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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 | -2399.5917379 | -2399.9526138 | 0.3608759 | 0.0000000 | 2399.9526138 | ||||||
| cm-1 | 1123.8 | 1172.1 | -48.2 | ||||||||
| eV | -65296.212 | 0.139 | -65296.073 | -65306.032 | 0.145 | -65305.886 | 9.820 | -0.006 | 9.814 | 0.000 | 65306.032 |