Start  ch4

echo

charge 0

geometry autosym units angstrom
  load ch4_ini.xyz
end

basis "ao basis" spherical print
  H  library "6-31g**"
  C  library "6-31g**"
end

dft
  mult 1
  XC pbe96
  direct
  iterations 220 
  print low convergence
  grid nodisk
end

driver
  default
  maxiter 200
  print low
end
task dft optimize

geometry adjust print
end
dft
  mulliken
  print medium convergence "final evals"
  noprint "final vectors analysis"
end
task dft