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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 | -106.3509555 | -106.7168049 | 0.3658493 | 0.0000000 | 106.7168049 | ||||||
| cm-1 | 195.0 | 526.3 | -331.3 | ||||||||
| eV | -2893.957 | 0.024 | -2893.933 | -2903.912 | 0.065 | -2903.847 | 9.955 | -0.041 | 9.914 | 0.000 | 2903.912 |