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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 | -78.0940625 | -78.4660636 | 0.3720011 | 0.0000000 | 78.4660636 | ||||||
| cm-1 | 10304.3 | 10789.9 | -485.6 | ||||||||
| eV | -2125.048 | 1.278 | -2123.770 | -2135.170 | 1.338 | -2133.832 | 10.123 | -0.060 | 10.062 | 0.000 | 2135.170 |