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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 | -227.4203906 | -227.7743031 | 0.3539124 | 0.0000000 | 227.7743031 | ||||||
| cm-1 | 7164.1 | 7726.0 | -561.9 | ||||||||
| eV | -6188.424 | 0.888 | -6187.535 | -6198.054 | 0.958 | -6197.096 | 9.630 | -0.070 | 9.561 | 0.000 | 6198.054 |