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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 | -289.5530237 | -289.8383241 | 0.2853003 | 0.0000000 | 289.8383241 | ||||||
| cm-1 | 1053.8 | 978.6 | 75.2 | ||||||||
| eV | -7879.138 | 0.131 | -7879.008 | -7886.902 | 0.121 | -7886.781 | 7.763 | 0.009 | 7.773 | 0.000 | 7886.902 |