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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 | -153.1197257 | -153.4994858 | 0.3797601 | 0.0000000 | 153.4994858 | ||||||
| cm-1 | 11764.0 | 12179.1 | -415.1 | ||||||||
| eV | -4166.600 | 1.459 | -4165.141 | -4176.933 | 1.510 | -4175.423 | 10.334 | -0.051 | 10.282 | 0.000 | 4176.933 |