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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 | -37.7252348 | -38.0983626 | 0.3731278 | 0.0000000 | 38.0983626 | ||||||
| cm-1 | 1365.3 | 1307.1 | 58.1 | ||||||||
| eV | -1026.556 | 0.169 | -1026.387 | -1036.709 | 0.162 | -1036.547 | 10.153 | 0.007 | 10.161 | 0.000 | 1036.709 |