#!/bin/sh

"$ADFBIN/adf" <<eor
    Atoms
    1 Mo       3.725159000000       3.549506000000       7.247795000000     R=1.992
    2 Mo       7.090649000000       3.789315000000      10.018914000000     R=1.992
    3 Mo       4.427874000000       1.823514000000       9.916045000000     R=1.992
    4 Mo       4.034106000000       5.237068000000      10.273674000000     R=1.992
    5 Mo       3.493485000000       6.958240000000       7.277945000000     R=1.992
    6 Mo       7.124216000000       7.018223000000       9.509118000000     R=1.992
    7 Mo       4.375960000000       8.777519000000       9.881486000000     R=1.992
    8 O       2.883409000000       5.263098000000       8.824779000000     R=1.72
    9 O       5.989177000000       5.213653000000      10.834135000000     R=1.72
    10 O       5.030418000000       3.682454000000       8.916684000000     R=1.72
    11 O       7.485114000000       5.272657000000       8.750548000000     R=1.72
    12 O       3.056948000000       2.188572000000       8.674926000000     R=1.72
    13 O       4.299714000000       5.276936000000       6.629246000000     R=1.72
    14 O       5.428877000000       0.691542000000       8.986613000000     R=1.72
    15 O       1.901623000000       6.843009000000       6.549210000000     R=1.72
    16 O       7.667031000000       8.066770000000       8.219267000000     R=1.72
    17 O       3.513439000000       6.580209000000      11.293674000000     R=1.72
    18 O       6.053066000000       8.278986000000      10.672295000000     R=1.72
    19 O       8.537765000000       3.837801000000      10.987182000000     R=1.72
    20 O       4.679110000000       2.506505000000       6.216737000000     R=1.72
    21 O       3.485404000000       9.457815000000      11.235568000000     R=1.72
    22 O       5.018725000000       6.854340000000       8.946805000000     R=1.72
    23 O       2.929184000000       8.189887000000       8.698528000000     R=1.72
    24 O       4.904102000000      10.163228000000       8.940786000000     R=1.72
    25 O       2.105442000000       3.490208000000       6.563497000000     R=1.72
    26 O       7.577536000000       2.477972000000       8.661984000000     R=1.72
    27 O       3.556396000000       3.748608000000      11.155709000000     R=1.72
    28 O       6.056220000000       2.487560000000      10.940369000000     R=1.72
    29 O       8.408245000000       7.067972000000      10.709758000000     R=1.72
    30 O       4.399337000000       8.020498000000       6.220149000000     R=1.72
    31 O       3.623251000000       0.884485000000      11.166289000000     R=1.72
    32 H       6.806584000000       1.885702000000       8.433745000000     R=1.30
    End
    Basis
        Type TZP
        Core Large
        CreateOutput None
    End
    GUIBonds
        1 1 20 2.0
        2 2 28 1.0
        3 2 26 1.0
        4 2 9 1.0
        5 2 11 1.0
        6 2 10 1.0
        7 3 31 2.0
        8 3 14 2.0
        9 3 12 2.0
        10 3 28 1.0
        11 4 17 2.0
        12 4 27 2.0
        13 4 8 1.0
        14 4 9 1.0
        15 4 10 1.0
        16 4 22 1.0
        17 5 30 2.0
        18 5 15 2.0
        19 5 23 1.0
        20 5 13 2.0
        21 5 8 1.0
        22 6 16 2.0
        23 6 29 2.0
        24 6 11 1.0
        25 6 18 1.0
        26 6 22 1.0
        27 7 24 2.0
        28 7 21 2.0
        29 7 18 1.0
        30 7 23 1.0
        31 26 32 1.0
        32 1 25 2.0
        33 1 3 3.0
        34 2 19 2.0
    End
    NoPrint LOGFILE
    XC
        GGA PBE
    End
    Relativistic Scalar ZORA
    Geometry
    End
    Charge -5.0
    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


