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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 | -177.4294308 | -177.7985737 | 0.3691428 | 0.0000000 | 177.7985737 | ||||||
| cm-1 | 9118.7 | 9291.1 | -172.4 | ||||||||
| eV | -4828.100 | 1.131 | -4826.970 | -4838.145 | 1.152 | -4836.993 | 10.045 | -0.021 | 10.024 | 0.000 | 4838.145 |