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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 | |||||||
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Units | Electronic Energy | VZPE | Total | Electronic Energy | VZPE | Total | Electronic Energy | VZPE | Total | Electronic Energy | Total |
Hartrees | -7.1373210 | -7.4882186 | 0.3508976 | 0.0000000 | 7.4882186 | ||||||
cm-1 | 2731.6 | 2715.9 | 15.7 | ||||||||
eV | -194.216 | 0.339 | -193.878 | -203.765 | 0.337 | -203.428 | 9.548 | 0.002 | 9.550 | 0.000 | 203.765 |