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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 | -108.7460022 | -109.3082067 | 0.5622045 | 0.0000000 | 109.3082067 | ||||||
| cm-1 | 1071.4 | 1150.6 | -79.3 | ||||||||
| eV | -2959.129 | 0.133 | -2958.996 | -2974.428 | 0.143 | -2974.285 | 15.298 | -0.010 | 15.289 | 0.000 | 2974.428 |