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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 | -2955.8217574 | -2956.1485319 | 0.3267745 | 0.0000000 | 2956.1485319 | ||||||
| cm-1 | 269.7 | 219.2 | 50.5 | ||||||||
| eV | -80432.000 | 0.033 | -80431.967 | -80440.892 | 0.027 | -80440.865 | 8.892 | 0.006 | 8.898 | 0.000 | 80440.892 |