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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 | -1194.2370642 | -1194.5920528 | 0.3549886 | 0.0000000 | 1194.5920528 | ||||||
| cm-1 | 564.8 | 774.5 | -209.7 | ||||||||
| eV | -32496.843 | 0.070 | -32496.773 | -32506.503 | 0.096 | -32506.407 | 9.660 | -0.026 | 9.634 | 0.000 | 32506.503 |