#!/bin/sh

"$ADFBIN/adf" <<eor
    Atoms
    1 Mo      -0.250720000000       5.977332000000       2.429860000000     R=1.992
    2 Mo      -0.947261000000       3.323190000000       5.114104000000     R=1.992
    3 O       0.050289000000       1.883972000000       4.872924000000     R=1.72
    4 O       0.392437000000       5.185142000000       0.987091000000     R=1.72
    5 O      -0.454704000000       4.709866000000       3.868639000000     R=1.72
    6 O      -1.810001000000       6.702740000000       2.024172000000     R=1.72
    7 O      -0.729234000000       3.896453000000       6.771785000000     R=1.72
    8 O       0.861661000000       7.263986000000       2.907921000000     R=1.72
    9 O      -2.640891000000       2.871648000000       4.896660000000     R=1.72
    End
    Basis
        Type TZP
        Core Large
        CreateOutput None
    End
    GUIBonds
        1 1 8 2.0
        2 1 6 2.0
        3 1 4 2.0
        4 1 5 1.0
        5 2 9 2.0
        6 2 7 2.0
        7 2 3 2.0
        8 2 5 1.0
    End
    NoPrint LOGFILE
    XC
        GGA PBE
    End
    Relativistic Scalar ZORA
    Geometry
    End
    Charge -2.0
    SOLVATION
        Surf Delley
        Solv name=Water cav0=0.0 cav1=0.0067639
        Charged method=CONJ
        C-Mat POT
        SCF VAR ALL 
        CSMRSP
    END
    AnalyticalFreq
    End
    NumericalQuality Good
    ScanFreq -1000 0
    QTAIM
        Enabled Yes
    End

eor


