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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 | -629.5069582 | -629.8218773 | 0.3149191 | 0.0000000 | 629.8218773 | ||||||
| cm-1 | 228.5 | 288.0 | -59.6 | ||||||||
| eV | -17129.755 | 0.028 | -17129.727 | -17138.325 | 0.036 | -17138.289 | 8.569 | -0.007 | 8.562 | 0.000 | 17138.325 |