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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 | -139.0909115 | -139.5565266 | 0.4656151 | 0.0000000 | 139.5565266 | ||||||
| cm-1 | 7036.7 | 8318.5 | -1281.8 | ||||||||
| eV | -3784.856 | 0.872 | -3783.984 | -3797.526 | 1.031 | -3796.495 | 12.670 | -0.159 | 12.511 | 0.000 | 3797.526 |