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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 | -1409.3779883 | -1409.6837990 | 0.3058107 | 0.0000000 | 1409.6837990 | ||||||
| cm-1 | 1613.7 | 1339.4 | 274.3 | ||||||||
| eV | -38351.125 | 0.200 | -38350.925 | -38359.447 | 0.166 | -38359.281 | 8.322 | 0.034 | 8.356 | 0.000 | 38359.447 |