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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 | -15.0427676 | -15.5101328 | 0.4673652 | 0.0000000 | 15.5101328 | ||||||
| cm-1 | 1167.9 | 1316.2 | -148.3 | ||||||||
| eV | -409.335 | 0.145 | -409.190 | -422.052 | 0.163 | -421.889 | 12.718 | -0.018 | 12.699 | 0.000 | 422.052 |