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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 | -94.0471705 | -94.4025277 | 0.3553572 | 0.0000000 | 94.4025277 | ||||||
cm-1 | 8315.6 | 8967.0 | -651.4 | ||||||||
eV | -2559.154 | 1.031 | -2558.123 | -2568.823 | 1.112 | -2567.712 | 9.670 | -0.081 | 9.589 | 0.000 | 2568.823 |