#!/bin/sh

export NSCM=1

"$AMSBIN/ams" <<eor

Task SinglePoint

NumericalDifferentiation
  Parallel nCoresPerGroup=1
End

System
    Atoms
      O    -0.74344254    -2.47963372     0.00000000
      O     3.18486752    -0.00532032     0.00000000
      N    -2.18863104     0.25293794     0.00000000
      N    -1.01510437     2.18590997     0.00000000
      N     1.21772821     1.17514003     0.00000000
      N     1.22492231    -1.22408825     0.00000000
      C    -0.84306510    -0.09033867     0.00000000
      C    -0.15978429     1.12757281     0.00000000
      C    -2.22377308     1.61884944     0.00000000
      C    -0.19392647    -1.37588781     0.00000000
      C     1.95906840    -0.01370298     0.00000000
      C     2.03711100    -2.43858439     0.00000000
      C     1.94342874     2.43981639     0.00000000
      C    -3.31324295    -0.66816361     0.00000000
      H    -3.17607413     2.16634468     0.00000000
      H     2.68996265    -2.46582638     0.89431974
      H     2.68996265    -2.46582638    -0.89431974
      H     1.34128342    -3.29581587     0.00000000
      H     2.59191762     2.51279610     0.89533552
      H     2.59191762     2.51279610    -0.89533552
      H     1.19794075     3.25470341     0.00000000
      H    -4.25197933    -0.08361589     0.00000000
      H    -3.28054430    -1.32003078     0.89417142
      H    -3.28054430    -1.32003078    -0.89417142
    End
End

Properties 
   NormalModes Yes
End

Engine GOUDA
    XCFunctional PBE
    Basis
        Type def2-svp
        FitType def2-universal-jkfit
        GuessType minao-1
    End
    XCGridLevel 3
    MaxWorkspaceMiB 500
EndEngine

eor