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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 | -161.5949454 | -161.9318196 | 0.3368742 | 0.0000000 | 161.9318196 | ||||||
| cm-1 | 790.4 | 1557.9 | -767.5 | ||||||||
| eV | -4397.222 | 0.098 | -4397.124 | -4406.389 | 0.193 | -4406.196 | 9.167 | -0.095 | 9.072 | 0.000 | 4406.389 |