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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 | -398.5057088 | -398.8798935 | 0.3741847 | 0.0000000 | 398.8798935 | ||||||
| cm-1 | 3079.3 | 3206.5 | -127.2 | ||||||||
| eV | -10843.892 | 0.382 | -10843.510 | -10854.074 | 0.398 | -10853.676 | 10.182 | -0.016 | 10.166 | 0.000 | 10854.074 |