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138 C.2. CONFORATEendC Compute the moments of inertiasubroutine mofi(l,n,am,coord,line,ee)implicit double precision(a-h,o-z)include ’data.h’dimension coord(nconfs,natoms,3)dimension am(nconfs,natoms),ee(nconfs,3)dimension t(3,3),ta(9),xx(3,natoms),dlx(3,3),e(3),f(3)C line:0 linealC :1 non-linearC build the 3*3 matrix of momenta of inertiado i=1,nxx(1,i)=coord(l,i,1)xx(2,i)=coord(l,i,2)xx(3,i)=coord(l,i,3)enddoC reinitio to 0.do i=1,3do j=1,3t(i,j)=0.enddoenddoCdo i=1,nt(1,1)=t(1,1)+am(l,i)*(xx(2,i)**2+xx(3,i)**2)t(2,2)=t(2,2)+am(l,i)*(xx(1,i)**2+xx(3,i)**2)t(3,3)=t(3,3)+am(l,i)*(xx(1,i)**2+xx(2,i)**2)t(1,2)=t(1,2)-am(l,i)*xx(1,i)*xx(2,i)t(1,3)=t(1,3)-am(l,i)*xx(1,i)*xx(3,i)t(2,3)=t(2,3)-am(1,i)*xx(2,i)*xx(3,i)enddoCDIS=0.02966D0C symmetric matrixt(2,1)=t(1,2)t(3,1)=t(1,3)t(3,2)=t(2,3)C Prebuilding the matrix to diagonalizek=0do i=1,3do j=1,ik=k+1ta(k)=t(i,j)enddoenddoC diagonalization of the moments of inertia matrixCALL HQRII(ta,3,3,e,dlx)do i=1,3C f(i)=e(i)*CDISCC amgstron**2(uma) --> bohr**2(uma): only f(i)C f(i)=e(i)*(1.88972652D0**2)C f(i)=f(i)*(1823.105455)C write(6,*) f(i)CC amgstron**2(uma) --> cm**2(gm): only f(i)e(i)=e(i)*(1.660538782D-40)