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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 | -499.7064920 | -500.1156125 | 0.4091205 | 0.0000000 | 500.1156125 | ||||||
| cm-1 | 6963.4 | 7981.1 | -1017.7 | ||||||||
| eV | -13597.705 | 0.863 | -13596.842 | -13608.838 | 0.990 | -13607.848 | 11.133 | -0.126 | 11.007 | 0.000 | 13608.838 |