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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 | -38.7593866 | -39.1413815 | 0.3819949 | 0.0000000 | 39.1413815 | ||||||
| cm-1 | 3455.4 | 3643.0 | -187.7 | ||||||||
| eV | -1054.697 | 0.428 | -1054.268 | -1065.091 | 0.452 | -1064.639 | 10.395 | -0.023 | 10.371 | 0.000 | 1065.091 |