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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 | -131.0908018 | -131.4239626 | 0.3331608 | 0.0000000 | 131.4239626 | ||||||
| cm-1 | 8406.4 | 8548.7 | -142.3 | ||||||||
| eV | -3567.162 | 1.042 | -3566.120 | -3576.228 | 1.060 | -3575.168 | 9.066 | -0.018 | 9.048 | 0.000 | 3576.228 |