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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 | -99.5039979 | -99.9864579 | 0.4824600 | 0.0000000 | 99.9864579 | ||||||
| cm-1 | 933.8 | 925.2 | 8.7 | ||||||||
| eV | -2707.641 | 0.116 | -2707.526 | -2720.770 | 0.115 | -2720.655 | 13.128 | 0.001 | 13.129 | 0.000 | 2720.770 |