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Geometries and energy levels for the five lowest-lying states of the p-C6H4F2+ ion and of the p-C6H4Cl2+ion were calculated by using the CASPT2 and CASSCF methods in conjunction with a contracted atomic natural orbital (ANO-L) basis set. For the 1 2 B 3g state of p-C6H4F2+ the D 2h geometry was found not to correspond to an energy minimum, and one should consider 1 2 ...
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