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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 | -610.0373492 | -610.4242738 | 0.3869245 | 0.0000000 | 610.4242738 | ||||||
cm-1 | 1472.9 | 1257.0 | 216.0 | ||||||||
eV | -16599.960 | 0.183 | -16599.778 | -16610.489 | 0.156 | -16610.333 | 10.529 | 0.027 | 10.556 | 0.000 | 16610.489 |