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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 | -2532.7257090 | -2532.9859011 | 0.2601921 | 0.0000000 | 2532.9859011 | ||||||
| cm-1 | 244.0 | 188.3 | 55.6 | ||||||||
| eV | -68918.971 | 0.030 | -68918.941 | -68926.052 | 0.023 | -68926.028 | 7.080 | 0.007 | 7.087 | 0.000 | 68926.052 |