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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 | -76.4472563 | -76.8629994 | 0.4157431 | 0.0000000 | 76.8629994 | ||||||
| cm-1 | 5474.7 | 5830.7 | -356.0 | ||||||||
| eV | -2080.236 | 0.679 | -2079.557 | -2091.549 | 0.723 | -2090.826 | 11.313 | -0.044 | 11.269 | 0.000 | 2091.549 |