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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 | -116.0277042 | -115.6602989 | -0.3674054 | 0.0000000 | 115.6602989 | ||||||
| cm-1 | 18531.6 | 16950.0 | 1581.5 | ||||||||
| eV | -3157.274 | 2.298 | -3154.977 | -3147.277 | 2.102 | -3145.175 | -9.998 | 0.196 | -9.802 | 0.000 | 3147.277 |