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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 | -415.7168427 | -416.0152408 | 0.2983981 | 0.0000000 | 416.0152408 | ||||||
| cm-1 | 619.9 | 616.9 | 3.0 | ||||||||
| eV | -11312.231 | 0.077 | -11312.154 | -11320.350 | 0.076 | -11320.274 | 8.120 | 0.000 | 8.120 | 0.000 | 11320.350 |