 
    Atoms
    1 O       2.533451000000      -2.582079000000      -4.322003000000     R=1.72
    2 O      -0.112552000000      -2.466150000000      -3.901717000000     R=1.72
    3 O      -0.796433000000      -4.140534000000      -6.012015000000     R=1.72
    4 O       0.228837000000      -1.517358000000      -6.514163000000     R=1.72
    5 O       1.479017000000      -4.744143000000      -4.054238000000     R=1.72
    6 O       1.826353000000      -7.464461000000      -4.995418000000     R=1.72
    7 O       0.380030000000      -6.200986000000      -1.722694000000     R=1.72
    8 O      -0.667897000000      -6.520579000000      -4.273685000000     R=1.72
    9 O       1.193753000000      -8.372159000000      -2.729424000000     R=1.72
    10 O       3.080147000000      -6.080171000000      -2.844707000000     R=1.72
    11 O       4.478219000000      -4.509334000000      -4.615743000000     R=1.72
    12 O       2.082213000000      -3.567173000000      -1.419066000000     R=1.72
    13 O       2.874088000000     -10.717373000000      -2.708912000000     R=1.72
    14 O       0.205906000000     -10.802024000000      -1.734473000000     R=1.72
    15 O       6.267536000000       1.650362000000      -2.585033000000     R=1.72
    16 O       4.081897000000       3.382325000000      -1.963913000000     R=1.72
    17 O       6.746794000000      -3.409696000000      -0.001734000000     R=1.72
    18 Mo       3.361986000000      -4.146864000000      -3.360015000000     R=1.992
    19 O       5.503965000000      -6.647234000000      -0.009718000000     R=1.72
    20 Mo       1.593153000000      -9.785581000000      -1.565860000000     R=1.992
    21 O       1.154737000000      -8.583635000000      -0.007298000000     R=1.72
    22 Mo       4.644331000000       1.810746000000      -1.544681000000     R=1.992
    23 O       4.289475000000      -2.374988000000      -2.716333000000     R=1.72
    24 O      -0.806305000000       0.660440000000      -7.895372000000     R=1.72
    25 O       0.743575000000       2.228744000000      -6.159239000000     R=1.72
    26 O       6.449406000000      -1.116360000000      -1.664310000000     R=1.72
    27 O       1.463148000000      -1.024960000000      -2.303239000000     R=1.72
    28 Mo       3.041716000000      -4.085512000000      -0.007715000000     R=1.992
    29 O       3.568791000000       1.248627000000      -0.008480000000     R=1.72
    30 Mo       0.538312000000       0.381588000000      -6.826904000000     R=1.992
    31 O       3.909421000000      -8.395497000000      -1.645142000000     R=1.72
    32 H       2.494204000000      -8.102730000000      -4.669791000000     R=1.30
    33 O       4.585654000000      -0.660318000000      -4.967548000000     R=1.72
    34 H       2.849560000000      -3.561187000000      -6.309183000000     R=1.30
    35 H      -2.346731000000       3.553119000000      -6.270198000000     R=1.30
    36 O       4.456344000000      -2.580314000000      -0.005184000000     R=1.72
    37 H       6.748726000000      -4.676906000000      -2.876779000000     R=1.30
    38 O       3.002100000000      -5.901825000000      -0.009205000000     R=1.72
    39 O      -1.015051000000       0.342684000000      -4.872504000000     R=1.72
    40 Mo       4.580965000000      -6.771029000000      -1.720507000000     R=1.992
    41 Mo       5.848918000000      -2.738284000000      -1.599073000000     R=1.992
    42 Mo       3.178812000000      -0.736519000000      -3.953958000000     R=1.992
    43 Mo       0.468482000000      -3.090076000000      -5.459810000000     R=1.992
    44 Mo       0.894404000000      -6.530104000000      -3.557719000000     R=1.992
    45 H       1.741373000000      -1.780474000000      -1.732640000000     R=1.30
    46 O       1.949691000000      -3.770456000000      -6.627562000000     R=1.72
    47 O       1.915088000000       0.319391000000      -7.886481000000     R=1.72
    48 H       0.764869000000      -1.481732000000      -2.875096000000     R=1.30
    49 O       4.555001000000      -4.554186000000      -1.726714000000     R=1.72
    50 H       0.796802000000      -6.824515000000      -1.079512000000     R=1.30
    51 O       6.960501000000      -3.712716000000      -2.796640000000     R=1.72
    52 O       3.700113000000       0.553821000000      -2.612347000000     R=1.72
    53 O       1.926089000000       0.050426000000      -4.909368000000     R=1.72
    54 O       2.510844000000     -10.602612000000      -0.019963000000     R=1.72
    55 H       3.761566000000     -10.304708000000      -2.620147000000     R=1.30
    56 O       5.852830000000       2.029845000000       0.005042000000     R=1.72
    57 H       6.784038000000       0.833744000000      -2.392380000000     R=1.30
    58 O       5.932451000000      -6.817955000000      -2.821512000000     R=1.72
    59 H       2.835547000000      -3.571828000000       6.294404000000     R=1.30
    60 H       2.499576000000      -8.114502000000       4.649065000000     R=1.30
    61 O       5.934725000000      -6.827907000000       2.802051000000     R=1.72
    62 O       1.898860000000       0.035939000000       4.893485000000     R=1.72
    63 O       3.672620000000       0.546657000000       2.596388000000     R=1.72
    64 O       6.952056000000      -3.714970000000       2.795341000000     R=1.72
    65 O       4.553531000000      -4.557980000000       1.714390000000     R=1.72
    66 O       1.931171000000       0.292494000000       7.861383000000     R=1.72
    67 O       1.937035000000      -3.783856000000       6.614336000000     R=1.72
    68 O      -1.081245000000       0.342752000000       4.936496000000     R=1.72
    69 O       4.559966000000      -0.661423000000       4.953231000000     R=1.72
    70 O       3.911270000000      -8.401059000000       1.621038000000     R=1.72
    71 O       1.438698000000      -1.042181000000       2.287998000000     R=1.72
    72 O       6.440694000000      -1.118483000000       1.664222000000     R=1.72
    73 O       0.741472000000       2.200392000000       6.145365000000     R=1.72
    74 O      -0.786181000000       0.647856000000       7.926471000000     R=1.72
    75 O       4.279488000000      -2.380184000000       2.705965000000     R=1.72
    76 O       4.058131000000       3.375512000000       1.958821000000     R=1.72
    77 O       6.239355000000       1.642819000000       2.596771000000     R=1.72
    78 O       0.205121000000     -10.819174000000       1.695619000000     R=1.72
    79 O       2.879640000000     -10.745764000000       2.662089000000     R=1.72
    80 O       2.083156000000      -3.573084000000       1.404039000000     R=1.72
    81 O       4.472419000000      -4.515019000000       4.604170000000     R=1.72
    82 O       3.084684000000      -6.091156000000       2.830437000000     R=1.72
    83 O       1.192464000000      -8.402506000000       2.716902000000     R=1.72
    84 O      -0.668492000000      -6.540787000000       4.242940000000     R=1.72
    85 O       0.412512000000      -6.236305000000       1.699297000000     R=1.72
    86 O       1.829046000000      -7.479950000000       4.976560000000     R=1.72
    87 O       1.476926000000      -4.759170000000       4.040058000000     R=1.72
    88 O       0.215326000000      -1.535353000000       6.514993000000     R=1.72
    89 O      -0.812054000000      -4.160120000000       5.996123000000     R=1.72
    90 O      -0.126502000000      -2.472345000000       3.897131000000     R=1.72
    91 O       2.520342000000      -2.593798000000       4.307527000000     R=1.72
    92 Mo       0.898743000000      -6.545377000000       3.538103000000     R=1.992
    93 Mo       0.451446000000      -3.104232000000       5.449225000000     R=1.992
    94 Mo       3.154089000000      -0.746389000000       3.938604000000     R=1.992
    95 Mo       5.843542000000      -2.741565000000       1.593507000000     R=1.992
    96 Mo       4.582361000000      -6.776862000000       1.702323000000     R=1.992
    97 Mo       0.533494000000       0.360912000000       6.828727000000     R=1.992
    98 Mo       4.626391000000       1.805423000000       1.541554000000     R=1.992
    99 Mo       1.591324000000      -9.799084000000       1.539938000000     R=1.992
    100 Mo       3.356419000000      -4.154877000000       3.347596000000     R=1.992
    101 H       6.759455000000       0.827760000000       2.407069000000     R=1.30
    102 H       3.767692000000     -10.335274000000       2.569921000000     R=1.30
    103 H       0.850806000000      -6.854961000000       1.064485000000     R=1.30
    104 H       0.734901000000      -1.490902000000       2.857815000000     R=1.30
    105 H       1.711372000000      -1.801273000000       1.719664000000     R=1.30
    106 H       6.741050000000      -4.679396000000       2.873631000000     R=1.30
    107 H      -2.329114000000       3.568892000000       6.308491000000     R=1.30
    108 O      -2.187082000000       2.747004000000       4.329083000000     R=1.72
    109 O       0.356181000000       3.162431000000       3.532166000000     R=1.72
    110 O       1.010824000000       4.972339000000       5.534905000000     R=1.72
    111 O      -1.683187000000       5.111349000000       3.980214000000     R=1.72
    112 O      -2.712038000000       7.651897000000       4.960516000000     R=1.72
    113 O      -1.060937000000       6.811109000000       1.663208000000     R=1.72
    114 O      -0.070780000000       7.399127000000       4.196090000000     R=1.72
    115 O      -2.405609000000       8.692221000000       2.672421000000     R=1.72
    116 O      -3.617086000000       6.013025000000       2.831341000000     R=1.72
    117 O      -4.532847000000       4.162705000000       4.629891000000     R=1.72
    118 O      -2.018081000000       3.806511000000       1.428869000000     R=1.72
    119 O      -4.651545000000      10.524136000000       2.669598000000     R=1.72
    120 O      -2.118949000000      11.288682000000       1.656661000000     R=1.72
    121 O      -5.173325000000      -2.340185000000       2.592785000000     R=1.72
    122 O      -2.659015000000      -3.437318000000       1.986564000000     R=1.72
    123 O      -3.871924000000       2.128173000000       2.748417000000     R=1.72
    124 O      -5.638665000000       0.366789000000       1.695439000000     R=1.72
    125 O      -0.996869000000       1.300847000000       2.242263000000     R=1.72
    126 O      -5.041737000000       8.024413000000       1.624115000000     R=1.72
    127 O      -3.827849000000       0.480045000000       5.071239000000     R=1.72
    128 O      -1.468121000000       3.963932000000       6.550363000000     R=1.72
    129 O      -4.647467000000       4.153468000000       1.729630000000     R=1.72
    130 O      -6.781120000000       2.772489000000       2.791858000000     R=1.72
    131 O      -2.859892000000      -0.656974000000       2.721979000000     R=1.72
    132 O      -6.560264000000       5.959907000000       2.814687000000     R=1.72
    133 O      -6.559615000000       5.919599000000      -2.810267000000     R=1.72
    134 O      -4.564071000000      -2.338204000000      -0.031046000000     R=1.72
    135 O      -4.316101000000      10.484245000000      -0.025313000000     R=1.72
    136 O      -2.607476000000      -0.686963000000      -2.571265000000     R=1.72
    137 O      -6.745848000000       2.734538000000      -2.790533000000     R=1.72
    138 O      -4.634762000000       4.140208000000      -1.705902000000     R=1.72
    139 O      -1.497937000000       3.961347000000      -6.533118000000     R=1.72
    140 O      -3.495558000000       5.851912000000       0.010222000000     R=1.72
    141 O      -4.058069000000       2.263855000000       0.027436000000     R=1.72
    142 O      -3.763710000000       0.364737000000      -4.894947000000     R=1.72
    143 O      -5.058502000000       8.010409000000      -1.649342000000     R=1.72
    144 O      -2.484811000000      -1.219162000000       0.051093000000     R=1.72
    145 O      -0.897300000000       1.387376000000      -2.189899000000     R=1.72
    146 O      -5.588404000000       0.353702000000      -1.644631000000     R=1.72
    147 O      -3.822720000000       2.108387000000      -2.683137000000     R=1.72
    148 O      -2.470817000000       8.902487000000      -0.061697000000     R=1.72
    149 O      -6.103135000000       5.901515000000       0.003455000000     R=1.72
    150 O      -6.488003000000       2.497993000000       0.006983000000     R=1.72
    151 O      -2.288938000000      -3.568039000000      -1.824463000000     R=1.72
    152 O      -4.816345000000      -2.288466000000      -2.525995000000     R=1.72
    153 O      -2.201218000000      11.323238000000      -1.772234000000     R=1.72
    154 O      -4.749790000000      10.513893000000      -2.725348000000     R=1.72
    155 O      -2.007562000000       3.806650000000      -1.385548000000     R=1.72
    156 O      -4.514212000000       4.111116000000      -4.598570000000     R=1.72
    157 O      -3.620799000000       5.996691000000      -2.825342000000     R=1.72
    158 O      -2.460156000000       8.723852000000      -2.772615000000     R=1.72
    159 O      -0.109270000000       7.406140000000      -4.243551000000     R=1.72
    160 O      -1.089207000000       6.914116000000      -1.687586000000     R=1.72
    161 O      -2.751111000000       7.599287000000      -5.010137000000     R=1.72
    162 O      -1.684687000000       5.104786000000      -3.962258000000     R=1.72
    163 O       0.997309000000       5.009138000000      -5.596680000000     R=1.72
    164 O       0.395972000000       3.223472000000      -3.551250000000     R=1.72
    165 O      -2.162517000000       2.723806000000      -4.295992000000     R=1.72
    166 Mo      -3.381091000000       4.077808000000       3.359459000000     R=1.992
    167 Mo      -3.188862000000       9.939785000000       1.513216000000     R=1.992
    168 Mo      -3.541541000000      -2.011082000000       1.652589000000     R=1.992
    169 Mo      -5.245650000000       6.279621000000       1.712710000000     R=1.992
    170 Mo      -5.458986000000       2.088461000000       1.613384000000     R=1.992
    171 Mo      -2.492142000000       0.825335000000       4.018294000000     R=1.992
    172 Mo      -0.045269000000       3.640195000000       5.197466000000     R=1.992
    173 Mo      -1.592839000000       6.991637000000       3.508649000000     R=1.992
    174 Mo      -1.623724000000       7.002103000000      -3.535596000000     R=1.992
    175 Mo      -0.039664000000       3.674284000000      -5.215493000000     R=1.992
    176 Mo      -2.403120000000       0.816484000000      -3.917950000000     R=1.992
    177 Mo      -5.441713000000       2.074682000000      -1.576922000000     R=1.992
    178 Mo      -5.249713000000       6.262783000000      -1.709676000000     R=1.992
    179 Mo      -3.068368000000       4.086421000000       0.019895000000     R=1.992
    180 Mo      -3.250532000000      -2.002189000000      -1.463416000000     R=1.992
    181 Mo      -3.250804000000       9.960994000000      -1.602479000000     R=1.992
    182 Mo      -3.364601000000       4.057268000000      -3.324416000000     R=1.992
    183 H      -6.817893000000       3.761469000000       2.864539000000     R=1.30
    184 H      -1.467088000000       1.906735000000       1.627680000000     R=1.30
    185 H      -0.371847000000       1.958653000000       2.702872000000     R=1.30
    186 H      -1.655088000000       7.283616000000       1.031777000000     R=1.30
    187 H      -5.406888000000       9.900686000000       2.592270000000     R=1.30
    188 H      -5.856868000000      -1.642715000000       2.461276000000     R=1.30
    189 H      -3.544948000000       8.061631000000       4.646982000000     R=1.30
    190 H      -5.652777000000      -1.870458000000      -2.216686000000     R=1.30
    191 H      -5.486402000000       9.869115000000      -2.642398000000     R=1.30
    192 H      -1.650064000000       7.460060000000      -1.076445000000     R=1.30
    193 H      -0.284712000000       2.027473000000      -2.690625000000     R=1.30
    194 H      -1.367332000000       2.028188000000      -1.606968000000     R=1.30
    195 H      -6.787055000000       3.722192000000      -2.876032000000     R=1.30
    196 H      -3.576601000000       8.030664000000      -4.706199000000     R=1.30
    197 H      -1.563152000000      -3.872290000000      -1.233355000000     R=1.30
    End
    GUIBonds
        1 3 43 2.0
        2 4 30 2.0
        3 6 32 1.0
        4 6 44 1.0
        5 7 50 1.0
        6 8 44 2.0
        7 12 28 2.0
        8 13 55 1.0
        9 14 20 2.0
        10 15 57 1.0
        11 18 49 2.0
        12 20 54 1.0
        13 20 21 1.0
        14 21 99 1.0
        15 22 29 1.0
        16 22 56 1.0
        17 24 30 2.0
        18 27 45 1.0
        19 27 48 1.0
        20 28 80 2.0
        21 29 98 1.0
        22 31 40 2.0
        23 34 46 1.0
        24 35 139 1.0
        25 36 41 1.0
        26 36 95 1.0
        27 37 51 1.0
        28 39 176 2.0
        29 42 53 2.0
        30 42 52 2.0
        31 54 99 1.0
        32 56 98 1.0
        33 59 67 1.0
        34 60 86 1.0
        35 62 94 2.0
        36 63 94 2.0
        37 64 106 1.0
        38 68 171 2.0
        39 71 105 1.0
        40 71 104 1.0
        41 74 97 2.0
        42 77 101 1.0
        43 78 99 2.0
        44 79 102 1.0
        45 84 92 2.0
        46 85 103 1.0
        47 86 92 1.0
        48 88 97 2.0
        49 89 93 2.0
        50 107 128 1.0
        51 110 172 2.0
        52 112 189 1.0
        53 113 186 1.0
        54 114 173 2.0
        55 118 179 2.0
        56 119 187 1.0
        57 121 188 1.0
        58 125 184 1.0
        59 125 185 1.0
        60 128 172 1.0
        61 129 166 2.0
        62 130 183 1.0
        63 131 171 2.0
        64 132 169 2.0
        65 133 178 2.0
        66 134 168 2.0
        67 136 176 2.0
        68 137 195 1.0
        69 138 182 2.0
        70 139 175 1.0
        71 144 180 2.0
        72 145 194 1.0
        73 145 193 1.0
        74 148 167 1.0
        75 148 181 1.0
        76 150 177 1.0
        77 150 170 1.0
        78 151 197 1.0
        79 152 190 1.0
        80 154 191 1.0
        81 155 179 2.0
        82 159 174 2.0
        83 160 192 1.0
        84 161 196 1.0
        85 163 175 2.0
        86 1 42 1.0
        87 1 18 1.0
        88 2 43 2.0
        89 5 44 1.0
        90 5 18 1.0
        91 7 44 1.0
        92 9 20 1.0
        93 9 44 1.0
        94 10 40 1.0
        95 10 18 1.0
        96 11 18 2.0
        97 13 20 1.0
        98 15 22 1.0
        99 16 22 2.0
        100 17 95 1.0
        101 17 41 1.0
        102 18 23 1.0
        103 19 40 1.0
        104 19 96 1.0
        105 20 99 3.0
        106 22 98 3.0
        107 23 41 1.0
        108 25 175 1.0
        109 25 30 1.0
        110 26 41 2.0
        111 28 38 2.0
        112 28 65 1.0
        113 30 47 2.0
        114 33 42 2.0
        115 40 58 2.0
        116 41 51 1.0
        117 41 95 3.0
        118 43 46 1.0
        119 61 96 2.0
        120 64 95 1.0
        121 65 100 1.0
        122 66 97 2.0
        123 67 93 1.0
        124 69 94 2.0
        125 70 96 2.0
        126 72 95 2.0
        127 73 172 1.0
        128 73 97 1.0
        129 75 95 1.0
        130 75 100 1.0
        131 76 98 2.0
        132 77 98 1.0
        133 79 99 1.0
        134 81 100 2.0
        135 82 96 1.0
        136 82 100 1.0
        137 83 99 1.0
        138 83 92 1.0
        139 85 92 1.0
        140 87 92 1.0
        141 87 100 1.0
        142 90 93 2.0
        143 91 94 1.0
        144 91 100 1.0
        145 108 171 1.0
        146 108 166 1.0
        147 109 172 2.0
        148 111 173 1.0
        149 111 166 1.0
        150 112 173 1.0
        151 113 173 1.0
        152 115 167 1.0
        153 115 173 1.0
        154 116 169 1.0
        155 116 166 1.0
        156 117 166 2.0
        157 119 167 1.0
        158 120 167 2.0
        159 121 168 1.0
        160 122 168 2.0
        161 123 170 1.0
        162 123 166 1.0
        163 124 170 2.0
        164 126 169 2.0
        165 127 171 2.0
        166 130 170 1.0
        167 135 181 1.0
        168 135 167 1.0
        169 137 177 1.0
        170 140 179 2.0
        171 141 179 1.0
        172 141 170 1.0
        173 142 176 2.0
        174 143 178 2.0
        175 146 177 2.0
        176 147 177 1.0
        177 147 182 1.0
        178 149 178 1.0
        179 149 169 1.0
        180 151 180 1.0
        181 152 180 1.0
        182 153 181 2.0
        183 154 181 1.0
        184 156 182 2.0
        185 157 178 1.0
        186 157 182 1.0
        187 158 181 1.0
        188 158 174 1.0
        189 160 174 1.0
        190 161 174 1.0
        191 162 174 1.0
        192 162 182 1.0
        193 164 175 2.0
        194 165 176 1.0
        195 165 182 1.0
        196 167 181 3.0
        197 168 180 3.0
        198 170 177 3.0
    End
    NoPrint LOGFILE
    XC
        GGA PBE
    End
    Relativistic Scalar ZORA
    Charge -7
    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

