#!/bin/sh

"$AMSBIN/ams" << eor

Task SinglePoint
System
    Atoms
        Tc 0.02549392419108846 13.52404599983708 8.861681696537737 adf.R=1.967
        O -0.01570776463064709 13.78243318532434 7.149585565113 adf.R=1.72
        O -1.582379328642836 13.55196461875601 9.505858045755321 adf.R=1.72
        O 0.7355421704261675 11.96177836283304 9.096052475976936 adf.R=1.72
        O 0.9889208132600297 14.73182528573496 9.617414546718356 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