fragments computed in C(lin) or D(lin) fragment symmetry could not be used in molecules with C(lin) or D(lin) symmetry: the results were wrong or the program crashed.
An error in the computation of energy gradients has been detected and repaired. This played hardly a role in most cases, but was significant in the presence of large frozen cores.
A1 frequencies were not computed in T(d) and O(h) symmetries.
A small error in the Fit-Correction terms in the bond energy has been detected and repaired. Effect on energy very system dependent, usually (much) smaller than 0.1 eV.
Labels of T1.u and T2.u subspecies in O(h) symmetry have been
interchanged to match the most often encountered assignment of labels
in the literature.
"SELECTED" optimization was not recognized (resulting in complete
variation of all coordinates) if the type of coordinates was specified
explicitly by the OPTIM subkey in the GEOMETRY block.
The LevelShift option (key: SCF) did not work correctly.
