【Amber】orc_job.tpl

#Run using SANDER file-based interface for Orca
#
!B97-3c slowconv
%pal nprocs 32 end
%method
  grid 6
  finalgrid 7
end
%scf
  DirectResetFreq=1
  TolE 1e-8
  TolRMSP 1e-8
  TolMaxP 1e-7
  maxiter 100
end
%MaxCore 4096