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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 | -2237.4486692 | -2237.8039615 | 0.3552923 | 0.0000000 | 2237.8039615 | ||||||
| cm-1 | 4589.6 | 4633.0 | -43.4 | ||||||||
| eV | -60884.075 | 0.569 | -60883.506 | -60893.743 | 0.574 | -60893.168 | 9.668 | -0.005 | 9.663 | 0.000 | 60893.743 |