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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 | -92.1252365 | -92.6855511 | 0.5603146 | 0.0000000 | 92.6855511 | ||||||
| cm-1 | 1012.5 | 1040.9 | -28.4 | ||||||||
| eV | -2506.855 | 0.126 | -2506.730 | -2522.102 | 0.129 | -2521.973 | 15.247 | -0.004 | 15.243 | 0.000 | 2522.102 |