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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 | -99.5154712 | -99.9990715 | 0.4836003 | 0.0000000 | 99.9990715 | ||||||
| cm-1 | 937.9 | 926.9 | 11.0 | ||||||||
| eV | -2707.954 | 0.116 | -2707.837 | -2721.113 | 0.115 | -2720.998 | 13.159 | 0.001 | 13.161 | 0.000 | 2721.113 |