#!/bin/sh

"$AMSBIN/ams" << eor

Task SinglePoint
System
    Atoms
        Tc -0.2569064451400646 13.39434586743681 8.628148949806077 adf.R=1.967
        O -0.3116072533899064 13.48580571408918 6.844345382963264 adf.R=1.72
        O -1.807223476166021 13.15884359032203 9.488098673922774 adf.R=1.72
        O 0.7011465661751471 11.90849041226623 8.884931507803703 adf.R=1.72
        O 0.4158182282748347 14.92720532991496 9.201096989474001 adf.R=1.72
    End
    Charge -2
    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 1
    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