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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 | -91.6133991 | -92.1736113 | 0.5602122 | 0.0000000 | 92.1736113 | ||||||
| cm-1 | 1036.1 | 1053.0 | -16.9 | ||||||||
| eV | -2492.927 | 0.128 | -2492.799 | -2508.172 | 0.131 | -2508.041 | 15.244 | -0.002 | 15.242 | 0.000 | 2508.172 |