#!/bin/bash

$AMSBIN/ams --delete-old-results << eor

system
  Atoms 
     C            1.18331100           0.30836400           6.90139756
     C           -0.10063900           0.21633400           7.67685756
     O           -1.27059900           0.82515400           7.05870757
     C           -1.23206900          -0.60900600           7.23032752
     H           -1.13647900          -1.17166600           6.30095753
     H           -1.95436900          -0.99261600           7.95323756
     H           -0.03627900           0.43763400           8.74616751
     H            1.93914100          -0.35123600           7.34772757
     H            1.57360100           1.33453400           6.92052755
     H            1.03438100           0.00250400           5.85799757
  End
End

task SinglePoint

Engine adf
  Relativity
    Level None
  End
  aoresponse
    Frequencies  0.50 [eV]
    lifetime 0.004
  End
  basis
     type TZP
     core none
  End
  symmetry NOSYM
  xc
    gga PBE
  End
  QMFQ
    FORCEFIELD wFQ 
    groundstate

    AtomType
      Symbol C 
    End
    Coords
       C           -2.46000000          -4.97098582           0.00000000    1  
       C           -3.69000000          -2.84056332           0.00000000    1
       C           -4.92000000          -0.71014083           0.00000000    1
       C           -1.23000000          -5.68112665           0.00000000    1
       C           -0.00000000          -4.97098582           0.00000000    1
       C           -2.46000000          -3.55070416           0.00000000    1
       C           -1.23000000          -2.84056332           0.00000000    1
       C           -3.69000000          -1.42028166           0.00000000    1
       C           -2.46000000          -0.71014083           0.00000000    1
       C           -4.92000000           0.71014083           0.00000000    1
       C           -3.69000000           1.42028166           0.00000000    1
       C            1.23000000          -5.68112665           0.00000000    1
       C            2.46000000          -4.97098582           0.00000000    1
       C           -0.00000000          -3.55070416           0.00000000    1
       C            1.23000000          -2.84056332           0.00000000    1
       C           -1.23000000          -1.42028166           0.00000000    1
       C           -0.00000000          -0.71014083           0.00000000    1
       C           -2.46000000           0.71014083           0.00000000    1
       C           -1.23000000           1.42028166           0.00000000    1
       C           -3.69000000           2.84056332           0.00000000    1
       C           -2.46000000           3.55070416           0.00000000    1
       C            2.46000000          -3.55070416           0.00000000    1
       C            3.69000000          -2.84056332           0.00000000    1
       C            1.23000000          -1.42028166           0.00000000    1
       C            2.46000000          -0.71014083           0.00000000    1
       C           -0.00000000           0.71014083           0.00000000    1
       C            1.23000000           1.42028166           0.00000000    1
       C           -1.23000000           2.84056332           0.00000000    1
       C           -0.00000000           3.55070416           0.00000000    1
       C           -2.46000000           4.97098582           0.00000000    1
       C           -1.23000000           5.68112665           0.00000000    1
       C            3.69000000          -1.42028166           0.00000000    1
       C            4.92000000          -0.71014083           0.00000000    1
       C            2.46000000           0.71014083           0.00000000    1
       C            3.69000000           1.42028166           0.00000000    1
       C            1.23000000           2.84056332           0.00000000    1
       C            2.46000000           3.55070416           0.00000000    1
       C           -0.00000000           4.97098582           0.00000000    1
       C            1.23000000           5.68112665           0.00000000    1
       C            4.92000000           0.71014083           0.00000000    1
       C            3.69000000           2.84056332           0.00000000    1
       C            2.46000000           4.97098582           0.00000000    1
    End
  END
EndEngine
eor