n stands for the n-th fragment type. The ? stands for one of the symmetry representations (of the point group symmetry used in the fragment calculation)
froc
MO occupation numbers for the MOs in this subspecies
eps
Orbital energies
When they result from a ZORA calculation, the non-scaled values are stored on
file (the scaled values are printed in the standard output file).
eigvf
Fragment MO eigenvectors, expressed in all the primitive atomic orbitals of the fragment.
nsos 1
Total number of MOs in this subspecies: size of variational problem
nbas 1
Number of primitive atomic basis functions that participate in this subspecies
npart 1
Indices that give for each of the nbas functions, the number of the basis function in the list of all basis functions
FO 1
The fragment MOs (nbas*nsos coefficients)
nocc 1
Number of non-empty orbitals
