#!/bin/sh

"$ADFBIN/adf" <<eor
    Atoms
    1 Mo       4.705706000000      10.532530000000       5.463176000000     R=1.992
    2 Mo       2.199979000000       3.498060000000       5.520557000000     R=1.992
    3 Mo       3.809229000000       8.534978000000       7.987682000000     R=1.992
    4 Mo       3.040959000000       5.539782000000       2.991341000000     R=1.992
    5 Mo       1.229193000000       6.219823000000       7.230620000000     R=1.992
    6 Mo       5.639719000000       7.848225000000       3.705495000000     R=1.992
    7 Mo       2.155253000000       8.135533000000       4.757244000000     R=1.992
    8 Mo       4.717897000000       5.959181000000       6.201889000000     R=1.992
    9 O       4.334842000000      12.179723000000       5.040696000000     R=1.72
    10 O       2.636505000000       1.874333000000       5.967694000000     R=1.72
    11 O       6.312663000000      10.593933000000       6.140575000000     R=1.72
    12 O       0.591584000000       3.355168000000       4.856345000000     R=1.72
    13 O       2.755256000000       8.837441000000       9.338971000000     R=1.72
    14 O       4.086895000000       5.235667000000       1.633827000000     R=1.72
    15 O       5.413576000000       8.586629000000       8.661416000000     R=1.72
    16 O       1.432687000000       5.480901000000       2.327444000000     R=1.72
    17 O       0.962441000000       6.407815000000       8.940202000000     R=1.72
    18 O       5.894876000000       7.660015000000       1.994417000000     R=1.72
    19 O      -0.368561000000       6.156658000000       6.542137000000     R=1.72
    20 O       7.241447000000       7.901102000000       4.385383000000     R=1.72
    21 O       0.555141000000       8.081580000000       4.081966000000     R=1.72
    22 O       6.318075000000       6.025103000000       6.875540000000     R=1.72
    23 O       3.713350000000      10.250360000000       7.110706000000     R=1.72
    24 O       3.157677000000       3.819905000000       3.864865000000     R=1.72
    25 O       1.733845000000       4.354836000000       7.197186000000     R=1.72
    26 O       5.147226000000       9.712713000000       3.757073000000     R=1.72
    27 O       2.620375000000       9.856491000000       4.680049000000     R=1.72
    28 O       4.265903000000       4.235690000000       6.285258000000     R=1.72
    29 O       3.231299000000       7.512112000000       3.223366000000     R=1.72
    30 O       3.630411000000       6.566697000000       7.734200000000     R=1.72
    31 O       1.749803000000       8.067567000000       6.688638000000     R=1.72
    32 O       5.112840000000       6.010938000000       4.267862000000     R=1.72
    33 O       4.404529000000       8.051455000000       5.732408000000     R=1.72
    34 O       2.464937000000       6.039053000000       5.225314000000     R=1.72
    35 H       1.580026942347       5.844938482759       9.412809268410     R=1.30
    36 H       6.073327376497       6.717210415812       2.023991013269     R=1.30
    End
    Basis
        Type TZP
        Core Large
        CreateOutput None
    End
    GUIBonds
        1 1 9 2.0
        2 1 11 2.0
        3 1 26 2.0
        4 1 23 1.0
        5 1 27 1.0
        6 2 10 2.0
        7 2 12 2.0
        8 2 24 1.0
        9 2 25 1.0
        10 2 28 1.0
        11 3 13 2.0
        12 3 15 2.0
        13 3 23 1.0
        14 3 30 1.0
        15 4 14 2.0
        16 4 16 2.0
        17 4 24 1.0
        18 4 29 1.0
        19 5 17 2.0
        20 5 19 2.0
        21 5 25 1.0
        22 5 34 2.0
        23 6 18 2.0
        24 6 20 2.0
        25 6 32 1.0
        26 6 33 2.0
        27 6 8 3.0
        28 7 21 2.0
        29 7 27 1.0
        30 7 31 2.0
        31 7 29 1.0
        32 8 22 2.0
        33 8 28 1.0
        34 8 32 1.0
        35 8 30 1.0
        36 3 8 2.0
        37 4 7 3.0
        38 5 7 1.0
        39 35 17 1.0
        40 36 18 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


