WebMO Job Summary

220840: C36H52O2N2ClMn Jacobson Cat, Molecular Energy - Gaussian

Calculated Quantities

Quantity Value
Route #N B3LYP/6-31G(d) SP Geom=Connectivity
Stoichiometry C36H52ClMnN2O2
Symmetry C1
Basis 6-31G(d)
RB3LYP Energy -3273.49156307 Hartree
Rotational Constants
Constant Frequency (GHz) Frequency (cm-1)
a 0.1089299 0.00363351035
b 0.0480347 0.00160226512
c 0.0369325 0.00123193559
Dipole Moment
7.6563 Debye
Quote IF THERE IS ONE WAY BETTER THAN ANOTHER IT IS THE WAY OF NATURE. -- ARISTOTLE
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CPU time 7223.7 sec