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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 | -162.8510774 | -163.2919191 | 0.4408417 | 0.0000000 | 163.2919191 | ||||||
| cm-1 | 1715.3 | 2131.3 | -416.0 | ||||||||
| eV | -4431.403 | 0.213 | -4431.191 | -4443.399 | 0.264 | -4443.135 | 11.996 | -0.052 | 11.944 | 0.000 | 4443.399 |