program mkrami c makes g98 input from FILE.X parameter (nat0=1000) dimension iz(nat0),x(nat0,3) character*2 ok c open(15,file='FILE.X') read(15,*) read(15,*)nat do 1 i=1,nat 1 read(15,*)iz(i),(x(i,j),j=1,3) close(15) open(15,file='FRERAM.INP') write(15,1000) 1000 format('%mem=10000000',/, 1 '%chk=ram.chk',/, 1 '%nproc=1',/, 2 '#hf/6-31G** freq fmm iop(2/11=1)',/, 3 /, 4 'ramanovo kouzlo',/, 5 /, 6 '0 1') do 2 i=1,nat ok='xx' if(iz(i).eq.1)ok=' h' if(iz(i).eq.6)ok=' c' if(iz(i).eq.7)ok=' n' if(iz(i).eq.8)ok=' o' 2 write(15,2000)ok,(x(i,j),j=1,3) 2000 format(a2,2x,3f15.6) write(15,*) close(15) stop end