#!/bin/sh

"$ADFBIN/adf" <<eor
    Atoms
    1 Mo       3.769025000000       3.563646000000       7.202765000000     R=1.992
    2 Mo       7.119427000000       3.750260000000       9.982818000000     R=1.992
    3 Mo       4.444734000000       1.831275000000       9.867949000000     R=1.992
    4 Mo       4.115772000000       5.277885000000      10.328901000000     R=1.992
    5 Mo       3.303922000000       6.831365000000       7.430352000000     R=1.992
    6 Mo       7.132134000000       7.023910000000       9.503490000000     R=1.992
    7 Mo       4.394531000000       8.731800000000       9.889726000000     R=1.992
    8 O       2.913559000000       5.359560000000       8.804020000000     R=1.72
    9 O       5.979521000000       5.204219000000      10.874068000000     R=1.72
    10 O       5.020363000000       3.734361000000       8.916694000000     R=1.72
    11 O       7.479053000000       5.245610000000       8.782828000000     R=1.72
    12 O       3.101034000000       2.204634000000       8.592188000000     R=1.72
    13 O       4.294509000000       5.352368000000       6.631976000000     R=1.72
    14 O       5.465405000000       0.701167000000       8.960486000000     R=1.72
    15 O       1.832432000000       6.766706000000       6.513172000000     R=1.72
    16 O       7.729596000000       8.043912000000       8.224316000000     R=1.72
    17 O       3.595088000000       6.706272000000      11.245594000000     R=1.72
    18 O       6.082236000000       8.362267000000      10.656425000000     R=1.72
    19 O       8.518881000000       3.814127000000      11.006597000000     R=1.72
    20 O       4.740279000000       2.562301000000       6.159893000000     R=1.72
    21 O       3.566898000000       9.627333000000      11.146275000000     R=1.72
    22 O       5.076257000000       6.843674000000       8.979907000000     R=1.72
    23 O       2.831076000000       8.052029000000       8.814561000000     R=1.72
    24 O       4.847358000000       9.879529000000       8.617000000000     R=1.72
    25 O       2.156820000000       3.528101000000       6.513152000000     R=1.72
    26 O       7.587191000000       2.412858000000       8.683481000000     R=1.72
    27 O       3.470290000000       3.835182000000      11.137525000000     R=1.72
    28 O       6.020765000000       2.511317000000      10.924721000000     R=1.72
    29 O       8.373474000000       7.054957000000      10.742075000000     R=1.72
    30 O       4.324940000000       8.186391000000       6.526184000000     R=1.72
    31 O       3.594742000000       0.915590000000      11.094702000000     R=1.72
    32 H       6.845223000000       1.760788000000       8.491755000000     R=1.30
    33 H       4.775435000000       8.834642000000       7.150004000000     R=1.30
    End
    Basis
        Type TZP
        Core Large
        CreateOutput None
    End
    GUIBonds
        1 1 20 2.0
        2 4 17 2.0
        3 5 15 2.0
        4 6 29 2.0
        5 6 18 2.0
        6 7 24 2.0
        7 26 32 1.0
        8 30 33 1.0
        9 1 25 2.0
        10 1 13 1.0
        11 1 12 1.0
        12 1 10 1.0
        13 1 3 3.0
        14 2 19 2.0
        15 2 28 1.0
        16 2 26 1.0
        17 2 11 1.0
        18 2 9 1.0
        19 2 10 1.0
        20 3 31 2.0
        21 3 14 2.0
        22 3 12 1.0
        23 3 28 1.0
        24 4 27 2.0
        25 4 9 1.0
        26 4 8 1.0
        27 4 22 1.0
        28 5 23 1.0
        29 5 30 1.0
        30 5 13 1.0
        31 5 8 1.0
        32 5 22 1.0
        33 6 16 2.0
        34 6 11 1.0
        35 6 7 3.0
        36 7 21 2.0
        37 7 23 1.0
    End
    NoPrint LOGFILE
    XC
        GGA PBE
    End
    Relativistic Scalar ZORA
    Geometry
    End
    Charge -4.0
    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


