Example: Single point MP2¶

#! /bin/sh

# spin-restricted calculation on water, SOS-MP2
# AO-based algorithm, 6 imaginary time points

$AMSBIN/ams <<eor
System
  symmetrize
  atoms
     O   -0.702196054  -0.056060256   0.009942262
     H   -1.022193224   0.846775782  -0.011488714
     H    0.257521062   0.042121496   0.005218999
  End
End
Symmetry
  SymmetrizeTolerance 0.001
End

Task SinglePoint

Engine ADF
  Basis
    core None
    type TZP
  End

  XC
    MP2
    EmpiricalScaling SOS
  End

  MBPT nTime=6
EndEngine

eor