 
    Atoms
    1 O      -7.473445000000       3.946720000000       2.783746000000     R=1.72
    2 O      -4.491421000000       8.590311000000       1.532353000000     R=1.72
    3 H      -2.649918000000       8.537116000000      -4.930411000000     R=1.30
    4 H      -2.701272000000       3.249463000000       6.186552000000     R=1.30
    5 O      -3.260205000000      -0.999563000000       2.691826000000     R=1.72
    6 O      -6.516847000000       7.041641000000       2.780367000000     R=1.72
    7 O      -6.393623000000       6.803210000000      -2.826066000000     R=1.72
    8 O      -5.371956000000      -1.507063000000      -0.133159000000     R=1.72
    9 O      -3.524351000000      10.876500000000      -0.098938000000     R=1.72
    10 O      -2.863327000000      -1.174080000000      -2.807308000000     R=1.72
    11 O      -7.223408000000       3.745974000000      -2.811233000000     R=1.72
    12 O      -4.863231000000       4.715830000000      -1.695961000000     R=1.72
    13 O      -2.212562000000       3.811067000000      -6.385621000000     R=1.72
    14 O      -3.493196000000       6.131239000000       0.097173000000     R=1.72
    15 O       0.073817000000       7.089305000000       4.235713000000     R=1.72
    16 O      -1.862974000000       8.712139000000       2.588583000000     R=1.72
    17 O      -4.789716000000       2.778568000000       0.107833000000     R=1.72
    18 O      -4.101012000000       0.607221000000      -4.586671000000     R=1.72
    19 O      -4.475426000000       8.479254000000      -1.614504000000     R=1.72
    20 O      -3.013815000000      -1.921092000000      -0.006634000000     R=1.72
    21 O      -2.034903000000       1.127469000000      -1.836751000000     R=1.72
    22 O      -3.664812000000       6.392543000000       2.927995000000     R=1.72
    23 O      -6.773081000000       1.204159000000      -1.601686000000     R=1.72
    24 O      -2.874469000000       2.842458000000       4.262580000000     R=1.72
    25 O       0.070457000000       2.167903000000      -6.351506000000     R=1.72
    26 O      -4.546301000000       2.499932000000      -2.569879000000     R=1.72
    27 O      -4.668870000000       0.431069000000       4.343069000000     R=1.72
    28 O      -1.919301000000       9.058821000000      -0.225350000000     R=1.72
    29 O      -4.903285000000       4.727154000000       4.735553000000     R=1.72
    30 O      -0.267883000000       2.731680000000       3.475006000000     R=1.72
    31 O      -6.057187000000       6.724761000000      -0.006855000000     R=1.72
    32 O      -7.077478000000       3.558777000000      -0.008535000000     R=1.72
    33 O      -4.200165000000      -3.651100000000      -1.976393000000     R=1.72
    34 O       0.677546000000       4.450993000000       5.452563000000     R=1.72
    35 H      -3.046820000000       3.445651000000      -6.030498000000     R=1.30
    36 O      -5.618976000000      -1.253955000000      -2.609941000000     R=1.72
    37 O      -1.548199000000      11.436111000000      -2.020327000000     R=1.72
    38 O      -4.175762000000      10.841285000000      -2.860732000000     R=1.72
    39 O      -1.283410000000       0.266567000000      -4.726179000000     R=1.72
    40 O      -2.371364000000       3.831376000000      -1.230139000000     R=1.72
    41 O      -4.614285000000       4.513194000000      -4.577537000000     R=1.72
    42 O      -3.453126000000       6.275398000000      -2.782920000000     R=1.72
    43 O      -1.976330000000       5.123463000000       4.153058000000     R=1.72
    44 O      -2.029313000000       8.845938000000      -2.893539000000     R=1.72
    45 O      -1.819567000000       3.444413000000       6.569911000000     R=1.72
    46 O      -2.494209000000       7.833938000000       4.975470000000     R=1.72
    47 O      -1.048459000000       6.420470000000       1.763099000000     R=1.72
    48 O      -5.029644000000       4.801739000000       1.791038000000     R=1.72
    49 O       0.184282000000       6.850591000000      -3.948412000000     R=1.72
    50 O      -1.054668000000       7.000080000000      -1.500629000000     R=1.72
    51 O      -2.317413000000       7.617790000000      -5.008784000000     R=1.72
    52 O      -1.768809000000       5.077749000000      -3.858372000000     R=1.72
    53 O       0.346749000000       4.978239000000      -5.693860000000     R=1.72
    54 O       0.094859000000       3.012988000000      -3.698669000000     R=1.72
    55 O      -2.518654000000       2.753070000000      -3.966251000000     R=1.72
    56 O      -2.490481000000       3.967576000000       1.577035000000     R=1.72
    57 O      -3.679599000000      10.972193000000       2.573026000000     R=1.72
    58 Mo      -3.827711000000       4.385450000000       3.435381000000     R=1.992
    59 H      -2.188566000000       2.065240000000      -1.576532000000     R=1.30
    60 Mo      -2.383137000000      10.038707000000       1.436179000000     R=1.992
    61 Mo      -4.325686000000      -1.914788000000       1.527144000000     R=1.992
    62 Mo      -5.130404000000       6.951581000000       1.722258000000     R=1.992
    63 Mo      -6.292940000000       2.952722000000       1.652768000000     R=1.992
    64 Mo      -3.091298000000       0.919210000000       3.742915000000     R=1.992
    65 Mo      -0.434664000000       3.141419000000       5.186126000000     R=1.992
    66 O       1.818213000000      -0.415296000000       7.555460000000     R=1.72
    67 O      -4.781746000000       2.664429000000       2.803490000000     R=1.72
    68 O      -1.893986000000       0.409512000000       4.908983000000     R=1.72
    69 Mo      -1.504174000000       6.873661000000       3.585737000000     R=1.992
    70 Mo      -1.580600000000       6.973474000000      -3.311984000000     R=1.992
    71 O      -6.898794000000       1.328848000000       1.765460000000     R=1.72
    72 Mo      -0.608267000000       3.569999000000      -5.200805000000     R=1.992
    73 O       0.446414000000       1.720811000000       6.068368000000     R=1.72
    74 O      -1.011346000000      -0.620761000000       7.639088000000     R=1.72
    75 Mo      -2.621102000000       0.611029000000      -3.645197000000     R=1.992
    76 O      -1.096655000000      11.186376000000       1.556107000000     R=1.72
    77 O      -6.008890000000      -1.382325000000       2.353108000000     R=1.72
    78 Mo      -6.103469000000       2.804050000000      -1.576157000000     R=1.992
    79 Mo      -5.094134000000       6.818076000000      -1.661917000000     R=1.992
    80 Mo      -3.443447000000       4.286514000000       0.125126000000     R=1.992
    81 Mo      -4.109464000000      -1.960083000000      -1.590961000000     R=1.992
    82 Mo      -2.741506000000      10.227320000000      -1.691876000000     R=1.992
    83 Mo      -3.552793000000       4.220699000000      -3.250549000000     R=1.992
    84 H      -7.242535000000       4.906033000000       2.857757000000     R=1.30
    85 H       0.355886000000       6.155974000000      -4.692711000000     R=1.30
    86 H      -1.552836000000       1.886825000000       2.206643000000     R=1.30
    87 H      -1.799120000000       6.520540000000       1.126273000000     R=1.30
    88 O       0.460506000000      -1.378179000000       5.261249000000     R=1.72
    89 H       0.068481000000       1.317030000000      -5.849851000000     R=1.30
    90 H      -6.994822000000       4.706066000000      -2.896243000000     R=1.30
    91 H      -4.558623000000      10.546296000000       2.473364000000     R=1.30
    92 H      -6.297851000000      -0.461707000000       2.134088000000     R=1.30
    93 O      -2.274033000000       1.244583000000       1.972633000000     R=1.72
    94 H      -3.403674000000       8.054148000000       4.685489000000     R=1.30
    95 H      -6.084865000000      -0.510740000000      -2.154122000000     R=1.30
    96 H      -4.931902000000      10.215665000000      -2.812687000000     R=1.30
    97 Mo       0.350403000000      -0.203221000000       6.584433000000     R=1.992
    98 O      -4.319927000000      -3.599992000000       1.956988000000     R=1.72
    99 H      -1.382656000000       7.770214000000      -0.897234000000     R=1.30
    End
    GUIBonds
        1 1 84 1.0
        2 3 51 1.0
        3 4 45 1.0
        4 6 62 2.0
        5 8 61 2.0
        6 10 75 2.0
        7 11 90 1.0
        8 12 83 2.0
        9 13 35 1.0
        10 15 69 2.0
        11 18 75 2.0
        12 20 81 2.0
        13 21 59 1.0
        14 25 89 1.0
        15 28 60 2.0
        16 29 58 2.0
        17 31 79 2.0
        18 32 63 1.0
        19 32 78 1.0
        20 36 95 1.0
        21 38 96 1.0
        22 38 82 1.0
        23 46 69 2.0
        24 47 87 1.0
        25 49 85 1.0
        26 49 70 1.0
        27 50 99 1.0
        28 53 72 2.0
        29 57 91 1.0
        30 64 68 2.0
        31 65 73 2.0
        32 77 92 1.0
        33 86 93 1.0
        34 88 97 2.0
        35 1 63 1.0
        36 2 62 2.0
        37 5 61 1.0
        38 5 64 1.0
        39 7 79 2.0
        40 9 82 1.0
        41 9 60 1.0
        42 11 78 1.0
        43 13 72 1.0
        44 14 80 2.0
        45 16 60 1.0
        46 16 69 1.0
        47 17 80 1.0
        48 17 78 1.0
        49 19 79 2.0
        50 21 75 1.0
        51 22 62 1.0
        52 22 58 1.0
        53 23 78 2.0
        54 24 58 1.0
        55 24 64 1.0
        56 25 72 1.0
        57 26 78 1.0
        58 26 83 1.0
        59 27 64 2.0
        60 30 65 2.0
        61 33 81 2.0
        62 34 65 2.0
        63 36 81 1.0
        64 37 82 2.0
        65 39 75 2.0
        66 40 80 1.0
        67 40 83 1.0
        68 41 83 2.0
        69 42 79 1.0
        70 42 70 1.0
        71 43 69 1.0
        72 43 58 1.0
        73 44 82 1.0
        74 44 70 1.0
        75 45 65 1.0
        76 47 69 1.0
        77 48 58 1.0
        78 48 62 1.0
        79 50 70 1.0
        80 51 70 1.0
        81 52 70 1.0
        82 52 83 1.0
        83 54 72 2.0
        84 55 83 1.0
        85 55 75 1.0
        86 56 80 1.0
        87 56 58 1.0
        88 57 60 1.0
        89 58 67 1.0
        90 60 76 2.0
        91 60 82 3.0
        92 61 98 2.0
        93 61 77 1.0
        94 61 81 3.0
        95 63 71 2.0
        96 63 67 1.0
        97 63 78 3.0
        98 64 93 1.0
        99 66 97 2.0
        100 74 97 2.0
    End
    NoPrint LOGFILE
    XC
        GGA PBE
    End
    Relativistic Scalar ZORA
    Charge -6
    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

