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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 | -93.7212080 | -94.0598484 | 0.3386404 | 0.0000000 | 94.0598484 | ||||||
cm-1 | 7613.1 | 8344.4 | -731.4 | ||||||||
eV | -2550.284 | 0.944 | -2549.340 | -2559.499 | 1.035 | -2558.464 | 9.215 | -0.091 | 9.124 | 0.000 | 2559.499 |