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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 | -170.2501778 | -170.6356238 | 0.3854460 | 0.0000000 | 170.6356238 | ||||||
cm-1 | 10304.5 | 10709.8 | -405.2 | ||||||||
eV | -4632.743 | 1.278 | -4631.465 | -4643.231 | 1.328 | -4641.904 | 10.489 | -0.050 | 10.438 | 0.000 | 4643.231 |