1 0 0 0 3 ifae,ifpsp,ifprt,ifplw,ilogd (5i5) 1.80 -2.4 1.6 400 rlogd,emin,emax,nnt (3f10.5,i5) 1.0d-10 1.0d-09 0.10 400 thresh,tol.damp (2e10.1,f10.5) 4.0_Fluorine 9 0.0 5.0 200.0 6.0 59.0 rmax,aasf,bbsf (3f10.5) 3 2 ncspvs,irel (2i5) 100 2.0 -40.8 200 1.0 -2.2 210 6.0 -0.9