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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 | -130.0261049 | -130.3940202 | 0.3679153 | 0.0000000 | 130.3940202 | ||||||
cm-1 | 2832.0 | 2864.4 | -32.4 | ||||||||
eV | -3538.190 | 0.351 | -3537.839 | -3548.202 | 0.355 | -3547.847 | 10.011 | -0.004 | 10.007 | 0.000 | 3548.202 |