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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 | -38.6486741 | -39.0217805 | 0.3731064 | 0.0000000 | 39.0217805 | ||||||
| cm-1 | 3549.1 | 3711.3 | -162.2 | ||||||||
| eV | -1051.684 | 0.440 | -1051.244 | -1061.837 | 0.460 | -1061.377 | 10.153 | -0.020 | 10.133 | 0.000 | 1061.837 |