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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 | -236.5573363 | -236.8022150 | 0.2448786 | 0.0000000 | 236.8022150 | ||||||
| cm-1 | 46.4 | 269.8 | -223.3 | ||||||||
| eV | -6437.052 | 0.006 | -6437.047 | -6443.716 | 0.033 | -6443.683 | 6.663 | -0.028 | 6.636 | 0.000 | 6443.716 |