coef_SCF
SCF fit coefficients. Total number of them is nprimf, the number of primitive fit functions (counting all Cartesian spherical polynomials: 3 for a p-set, 6 for a d-set, and so on). If the calculation is spin-unrestricted, each spin has its own set of fit coefficients: first all coefficients of spin-A, then those of spin-B
coef_FreqCenter
Only in a Frequencies calculation: the fit coefficients that
correspond to the equilibrium geometry.
The variable coef_SCF corresponds always to the current geometry, or the
previous one if the geometry has just been changed and the new SCF has yet to
start.
