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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 | -312.3089681 | -312.7849630 | 0.4759949 | 0.0000000 | 312.7849630 | ||||||
| cm-1 | 2858.7 | 2891.9 | -33.2 | ||||||||
| eV | -8498.359 | 0.354 | -8498.005 | -8511.312 | 0.359 | -8510.953 | 12.952 | -0.004 | 12.948 | 0.000 | 8511.312 |