#!/bin/sh

"$AMSBIN/ams" << eor

Task GeometryOptimization
System
    Atoms
        Tc -0.0 0.0 0.0 adf.R=1.967
        O 0.99814739 0.99814739 -0.99814739 adf.R=1.72
        O 0.99814739 -0.99814739 0.99814739 adf.R=1.72
        O -0.99814739 0.99814739 0.99814739 adf.R=1.72
        O -0.99814739 -0.99814739 -0.99814739 adf.R=1.72
    End
    Charge -1
    BondOrders
         1 2 1.0
         1 3 1.0
         1 4 1.0
         1 5 1.0
    End
End

Engine ADF
    Basis
        Type QZ4P
        Core Small
    End
    SpinPolarization 0.0
    XC
        GGA PBE
    End
    Unrestricted Yes
    Solvation
        Surf Delley
        Solv name=Water cav0=0.0 cav1=0.0067639
        Charged method=CONJ
        C-Mat POT
        SCF VAR ALL 
        CSMRSP
    End
    NumericalQuality Excellent
EndEngine
eor