 
    Atoms
    1 O       2.561136000000      -2.820884000000      -4.388116000000     R=1.517
    2 O      -0.097595000000      -2.859840000000      -4.199453000000     R=1.517
    3 O      -0.164894000000      -4.782147000000      -6.273052000000     R=1.517
    4 O       0.668667000000      -2.085846000000      -6.714098000000     R=1.517
    5 O       1.779941000000      -5.024701000000      -4.100978000000     R=1.517
    6 O       2.565551000000      -7.618189000000      -5.284881000000     R=1.517
    7 O       0.761643000000      -6.126159000000      -1.478694000000     R=1.517
    8 O       0.015247000000      -7.168198000000      -4.180486000000     R=1.517
    9 O       1.969884000000      -8.513330000000      -2.662496000000     R=1.517
    10 O       3.380242000000      -6.138483000000      -2.761301000000     R=1.517
    11 O       4.718962000000      -4.550790000000      -4.609199000000     R=1.517
    12 O       2.393854000000      -4.001876000000      -1.342534000000     R=1.517
    13 O       3.563173000000     -10.536933000000      -2.375439000000     R=1.517
    14 O       1.221488000000     -10.452609000000      -0.602485000000     R=1.517
    15 O       2.040636000000      -0.084920000000      -4.786091000000     R=1.517
    16 O       5.074931000000      -4.572573000000      -1.972403000000     R=1.517
    17 O       7.202817000000      -3.299861000000      -0.456990000000     R=1.517
    18 Mo       3.472977000000      -4.220227000000      -3.339663000000     R=1.992
    19 O       6.746319000000      -6.500040000000      -0.723027000000     R=1.517
    20 Mo       2.722339000000      -9.512555000000      -0.786182000000     R=1.992
    21 O       2.269340000000      -7.914579000000       0.030755000000     R=1.517
    22 H       1.283764000000      -6.793768000000      -0.951282000000     R=1.350
    23 O       4.110715000000      -2.417965000000      -2.632720000000     R=1.517
    24 O       3.825794000000     -10.286968000000       0.379558000000     R=1.517
    25 H       6.181010000000      -3.376269000000      -3.703813000000     R=1.350
    26 O       6.243323000000      -0.800979000000      -1.205543000000     R=1.517
    27 O       1.664533833476      -1.404104734477      -2.523825630015     R=1.517
    28 O       6.080408000000      -6.707583000000      -3.524709000000     R=1.517
    29 H      -0.489957000000      -1.402494000000      -4.713024000000     R=1.350
    30 H       5.347466000000      -1.352026000000      -4.149827000000     R=1.350
    31 O       4.645709000000      -8.168035000000      -1.418358000000     R=1.517
    32 H       3.294740000000      -9.954231000000      -3.117881000000     R=1.350
    33 O       4.697932000000      -0.747350000000      -4.584194000000     R=1.517
    34 H       3.327416000000      -4.237807000000      -6.097838000000     R=1.350
    35 O       6.691761000000      -2.680427000000      -3.226853000000     R=1.517
    36 O       4.459125000000      -2.716551000000      -0.022836000000     R=1.517
    37 O       2.542543000000      -4.179504000000      -6.684686000000     R=1.517
    38 O       3.945404000000      -5.991838000000       0.043652000000     R=1.517
    39 O       3.325662000000       0.425017000000      -2.298845000000     R=1.517
    40 Mo       5.303469000000      -6.523095000000      -1.736068000000     R=1.992
    41 Mo       5.893579000000      -2.522010000000      -1.355411000000     R=1.992
    42 Mo       2.998361000000      -0.842135000000      -3.485979000000     R=1.992
    43 Mo       0.897203000000      -3.536076000000      -5.599081000000     R=1.992
    44 Mo       1.755724000000      -7.077262000000      -3.801892000000     R=1.992
    45 H       1.974932000000      -3.114331000000      -1.500469000000     R=1.350
    46 H       3.260592000000      -6.780096000000       0.043624000000     R=1.350
    47 H       3.440666000000      -5.225164000000      -0.339529000000     R=1.350
    48 H       3.675348000000      -3.161749000000      -0.483836000000     R=1.350
    49 H       1.339429000000      -5.291638000000      -1.445887000000     R=1.350
    50 H       5.643745000000      -5.982090000000      -4.066437000000     R=1.350
    51 Mo       0.284263000000       0.115161000000      -6.602113000000     R=1.992
    52 O      -0.758532000000      -0.482681000000      -5.080443000000     R=1.517
    53 O      -0.930098000000       0.103092000000      -7.878450000000     R=1.517
    54 O       0.450159000000       1.832681000000      -6.232947000000     R=1.517
    55 H       2.209001000000      -0.998091000000      -7.557878000000     R=1.350
    56 O       1.967358000000      -0.051601000000      -7.661875000000     R=1.517
    End
    GUIBonds
        1 3 43 2.0
        2 7 22 1.0
        3 7 49 1.0
        4 12 45 1.0
        5 13 32 1.0
        6 15 42 2.0
        7 17 41 2.0
        8 20 24 2.0
        9 23 42 2.0
        10 25 35 1.0
        11 51 56 1.0
        12 28 50 1.0
        13 30 33 1.0
        14 34 37 1.0
        15 36 48 1.0
        16 38 47 1.0
        17 38 46 1.0
        18 51 52 1.0
        19 52 29 1.0
        20 55 56 1.0
        21 1 18 1.0
        22 1 43 1.0
        23 2 43 2.0
        24 4 43 1.0
        25 4 51 1.0
        26 5 18 1.0
        27 5 44 1.0
        28 6 44 2.0
        29 8 44 2.0
        30 9 44 1.0
        31 9 20 1.0
        32 10 18 1.0
        33 10 44 1.0
        34 11 18 2.0
        35 12 18 1.0
        36 13 20 1.0
        37 14 20 2.0
        38 16 40 1.0
        39 16 18 1.0
        40 19 40 2.0
        41 20 21 2.0
        42 26 41 2.0
        43 27 42 1.0
        44 28 40 1.0
        45 31 40 2.0
        46 33 42 1.0
        47 35 41 1.0
        48 36 41 1.0
        49 37 43 1.0
        50 39 42 2.0
        51 51 53 2.0
        52 51 54 2.0
    End
    NoPrint LOGFILE
    XC
        GGA PBE
    End
    Relativistic Scalar ZORA
    Geometry
    End
    Charge -9
    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

