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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 | -117.6000610 | -117.3042832 | -0.2957778 | 0.0000000 | 117.3042832 | ||||||
| cm-1 | 18769.1 | 16843.5 | 1925.6 | ||||||||
| eV | -3200.060 | 2.327 | -3197.733 | -3192.012 | 2.088 | -3189.924 | -8.049 | 0.239 | -7.810 | 0.000 | 3192.012 |