In the picture below I have evaluated the combinations of atomic orbitals which belong to the same symmetry specie using the standard method with the character table. Now I think that in order to generate a molecular orbital using LCAO I can make linear combination only of the orbitals that I have found to belong to the same symmetry specie (A1-B1-B2). Is it right? And also, if it is, how can I obtain the coefficients of that combo? enter image description here


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