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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 | -471.9905094 | -472.3667083 | 0.3761990 | 0.0000000 | 472.3667083 | ||||||
| cm-1 | 731.4 | 594.6 | 136.8 | ||||||||
| eV | -12843.515 | 0.091 | -12843.424 | -12853.752 | 0.074 | -12853.678 | 10.237 | 0.017 | 10.254 | 0.000 | 12853.752 |