 
    Atoms
    1 O       5.770584000000      -2.715437150000       2.996588510000     R=1.72
    2 O       3.492817270000      -1.898237150000       1.853902620000     R=1.72
    3 O       1.944412660000      -3.945717150000       2.912632870000     R=1.72
    4 O       3.760830340000      -4.471167150000       0.778387420000     R=1.72
    5 O       3.979031330000      -2.471977150000       4.616932510000     R=1.72
    6 O       3.304208690000      -3.502267150000       7.259622550000     R=1.72
    7 O       2.446901880000      -0.184077150000       5.652144410000     R=1.72
    8 O       1.326245150000      -2.724877150000       5.498653810000     R=1.72
    9 O       2.387347120000      -1.242217150000       7.937662200000     R=1.72
    10 O       4.989402750000      -1.347187150000       6.509505600000     R=1.72
    11 O       6.811618030000      -3.159767150000       5.531909150000     R=1.72
    12 O       5.071949560000       0.085822850000       3.795123600000     R=1.72
    13 O       3.065381040000      -1.207877150000      10.748661210000     R=1.72
    14 O       0.571475900000      -0.224567150000       9.811073250000     R=1.72
    15 O      11.214423950000      -1.134317150000       0.884431470000     R=1.72
    16 O       9.939574900000      -0.388997150000      -1.569470650000     R=1.72
    17 O       9.398647010000       1.483782850000       5.508857450000     R=1.72
    18 Mo       5.964689980000      -1.852507150000       4.806347450000     R=1.992
    19 O       7.027419230000       1.483782850000       7.956764490000     R=1.72
    20 Mo       2.240875020000      -0.070497150000       9.392144420000     R=1.992
    21 O       2.294908230000       1.483782850000       8.103590900000     R=1.72
    22 Mo       9.803253410000      -0.060927150000       0.114271530000     R=1.992
    23 O       7.572551280000      -1.240307150000       3.580641350000     R=1.72
    24 O       3.832445730000      -6.112287150000      -1.519256960000     R=1.72
    25 O       6.070718580000      -4.471167150000      -2.161933730000     R=1.72
    26 O      10.088512480000      -0.223357150000       3.341819520000     R=1.72
    27 O       5.692521550000      -0.590817150000       1.155822170000     R=1.72
    28 Mo       5.753963130000       1.483782850000       4.659135240000     R=1.992
    29 O       8.599909680000       1.483782850000       0.272331760000     R=1.72
    30 Mo       4.915774460000      -5.032927150000      -0.691773160000     R=1.992
    31 O       4.889906380000      -0.153137150000       8.968979230000     R=1.72
    32 H       3.713179790000      -3.200547150000       8.097073350000     R=1.30
    33 O       8.343908340000      -3.616467150000       2.115480980000     R=1.72
    34 H       5.477159060000      -4.762847150000       3.647891730000     R=1.30
    35 H       4.354389860000      -4.762847150000      -5.031438050000     R=1.30
    36 O       7.648235910000       1.483782850000       3.828504440000     R=1.72
    37 H       8.846222050000      -1.367037150000       6.706233490000     R=1.30
    38 O       5.007950900000       1.483782850000       6.319018940000     R=1.72
    39 O       3.548471080000      -3.206917150000      -1.712240320000     R=1.72
    40 Mo       6.124631760000      -0.226787150000       7.716401020000     R=1.992
    41 Mo       8.849195090000      -0.124847150000       4.548181320000     R=1.992
    42 Mo       7.180513730000      -2.425147150000       1.620558140000     R=1.992
    43 Mo       3.572016660000      -3.570917150000       2.451080780000     R=1.992
    44 Mo       2.786339780000      -2.032407150000       6.087540730000     R=1.992
    45 H       5.725691540000      -0.000607150000       1.940038830000     R=1.30
    46 O       4.545263140000      -4.992537150000       3.463122410000     R=1.72
    47 O       5.999103190000      -6.112287150000       0.135710640000     R=1.72
    48 H       4.804652360000      -1.052707150000       1.319094240000     R=1.30
    49 O       6.937790320000      -0.246967150000       5.672511730000     R=1.72
    50 H       2.594064980000       0.438342850000       6.407197560000     R=1.30
    51 O       9.444825590000      -1.301967150000       5.916025960000     R=1.72
    52 O       8.394693380000      -1.173157150000       0.758182640000     R=1.72
    53 O       6.283077830000      -3.206917150000       0.328694010000     R=1.72
    54 O       2.783485330000       1.483782850000      10.486359530000     R=1.72
    55 H       4.043625750000      -1.131787150000      10.696677440000     R=1.30
    56 O      11.001236320000       1.483782850000       0.431042910000     R=1.72
    57 H      11.324019310000      -0.966267150000       1.848930870000     R=1.30
    58 O       7.363484650000      -1.330507150000       8.262649850000     R=1.72
    59 H       5.477159060000       7.730412850000       3.647891730000     R=1.30
    60 H       3.713179790000       6.168112850000       8.097073350000     R=1.30
    61 O       7.363484650000       4.298072850000       8.262649850000     R=1.72
    62 O       6.283077830000       6.174482850000       0.328694010000     R=1.72
    63 O       8.394693380000       4.140722850000       0.758182640000     R=1.72
    64 O       9.444825590000       4.269532850000       5.916025960000     R=1.72
    65 O       6.937790320000       3.214532850000       5.672511730000     R=1.72
    66 O       5.999103190000       9.079852850000       0.135710640000     R=1.72
    67 O       4.545263140000       7.960102850000       3.463122410000     R=1.72
    68 O       3.548471080000       6.174482850000      -1.712240320000     R=1.72
    69 O       8.343908340000       6.584032850000       2.115480980000     R=1.72
    70 O       4.889906380000       3.120702850000       8.968979230000     R=1.72
    71 O       5.692521550000       3.558382850000       1.155822170000     R=1.72
    72 O      10.088512480000       3.190922850000       3.341819520000     R=1.72
    73 O       6.070718580000       7.438732850000      -2.161933730000     R=1.72
    74 O       3.832445730000       9.079852850000      -1.519256960000     R=1.72
    75 O       7.572551280000       4.207872850000       3.580641350000     R=1.72
    76 O       9.939574900000       3.356562850000      -1.569470650000     R=1.72
    77 O      11.214423950000       4.101882850000       0.884431470000     R=1.72
    78 O       0.571475900000       3.192132850000       9.811073250000     R=1.72
    79 O       3.065381040000       4.175442850000      10.748661210000     R=1.72
    80 O       5.071949560000       2.881742850000       3.795123600000     R=1.72
    81 O       6.811618030000       6.127332850000       5.531909150000     R=1.72
    82 O       4.989402750000       4.314752850000       6.509505600000     R=1.72
    83 O       2.387347120000       4.209782850000       7.937662200000     R=1.72
    84 O       1.326245150000       5.692442850000       5.498653810000     R=1.72
    85 O       2.446901880000       3.151642850000       5.652144410000     R=1.72
    86 O       3.304208690000       6.469832850000       7.259622550000     R=1.72
    87 O       3.979031330000       5.439542850000       4.616932510000     R=1.72
    88 O       3.760830340000       7.438732850000       0.778387420000     R=1.72
    89 O       1.944412660000       6.913282850000       2.912632870000     R=1.72
    90 O       3.492817270000       4.865802850000       1.853902620000     R=1.72
    91 O       5.770584000000       5.683002850000       2.996588510000     R=1.72
    92 Mo       2.786339780000       4.999972850000       6.087540730000     R=1.992
    93 Mo       3.572016660000       6.538482850000       2.451080780000     R=1.992
    94 Mo       7.180513730000       5.392712850000       1.620558140000     R=1.992
    95 Mo       8.849195090000       3.092412850000       4.548181320000     R=1.992
    96 Mo       6.124631760000       3.194352850000       7.716401020000     R=1.992
    97 Mo       4.915774460000       8.000492850000      -0.691773160000     R=1.992
    98 Mo       9.803253410000       3.028492850000       0.114271530000     R=1.992
    99 Mo       2.240875020000       3.038062850000       9.392144420000     R=1.992
    100 Mo       5.964689980000       4.820072850000       4.806347450000     R=1.992
    101 H      11.324019310000       3.933832850000       1.848930870000     R=1.30
    102 H       4.043625750000       4.099352850000      10.696677440000     R=1.30
    103 H       2.594064980000       2.529222850000       6.407197560000     R=1.30
    104 H       4.804652360000       4.020272850000       1.319094240000     R=1.30
    105 H       5.725691540000       2.968172850000       1.940038830000     R=1.30
    106 H       8.846222050000       4.334602850000       6.706233490000     R=1.30
    107 H       4.354389860000       7.730412850000      -5.031438050000     R=1.30
    108 O       4.060964920000       5.683002850000      -4.380134830000     R=1.72
    109 O       6.338731640000       4.865802850000      -3.237448940000     R=1.72
    110 O       7.887136260000       6.913282850000      -4.296179190000     R=1.72
    111 O       5.852517590000       5.439542850000      -6.000478820000     R=1.72
    112 O       6.527340220000       6.469832850000      -8.643168870000     R=1.72
    113 O       7.384647040000       3.151642850000      -7.035690730000     R=1.72
    114 O       8.505303760000       5.692442850000      -6.882200120000     R=1.72
    115 O       7.444201800000       4.209782850000      -9.321208510000     R=1.72
    116 O       4.842146170000       4.314752850000      -7.893051910000     R=1.72
    117 O       3.019930890000       6.127332850000      -6.915455460000     R=1.72
    118 O       4.759599360000       2.881742850000      -5.178669910000     R=1.72
    119 O       6.766167880000       4.175442850000     -12.132207520000     R=1.72
    120 O       9.260073020000       3.192132850000     -11.194619560000     R=1.72
    121 O      -1.382875030000       4.101882850000      -2.267977780000     R=1.72
    122 O      -0.130142540000       3.409792850000       0.459091260000     R=1.72
    123 O       2.258997640000       4.207872850000      -4.964187660000     R=1.72
    124 O      -0.256963560000       3.190922850000      -4.725365840000     R=1.72
    125 O       4.139027360000       3.558382850000      -2.539368480000     R=1.72
    126 O       4.941642540000       3.120702850000     -10.352525540000     R=1.72
    127 O       1.487640580000       6.584032850000      -3.499027300000     R=1.72
    128 O       5.286285780000       7.960102850000      -4.846668720000     R=1.72
    129 O       2.893758600000       3.214532850000      -7.056058050000     R=1.72
    130 O       0.386723330000       4.269532850000      -7.299572280000     R=1.72
    131 O       1.436855540000       4.140722850000      -2.141728950000     R=1.72
    132 O       2.468064270000       4.298072850000      -9.646196170000     R=1.72
    133 O       2.468064270000      -1.330507150000      -9.646196170000     R=1.72
    134 O      -1.169687410000       1.483782850000      -1.814589230000     R=1.72
    135 O       7.048063590000       1.483782850000     -11.869905850000     R=1.72
    136 O       1.436855540000      -1.173157150000      -2.141728950000     R=1.72
    137 O       0.386723330000      -1.301967150000      -7.299572280000     R=1.72
    138 O       2.893758600000      -0.246967150000      -7.056058050000     R=1.72
    139 O       5.286285780000      -4.992537150000      -4.846668720000     R=1.72
    140 O       4.823598020000       1.483782850000      -7.702565260000     R=1.72
    141 O       2.183313000000       1.483782850000      -5.212050750000     R=1.72
    142 O       1.487640580000      -3.616467150000      -3.499027300000     R=1.72
    143 O       4.941642540000      -0.153137150000     -10.352525540000     R=1.72
    144 O       1.231639230000       1.483782850000      -1.655878070000     R=1.72
    145 O       4.139027360000      -0.590817150000      -2.539368480000     R=1.72
    146 O      -0.256963560000      -0.223357150000      -4.725365840000     R=1.72
    147 O       2.258997640000      -1.240307150000      -4.964187660000     R=1.72
    148 O       7.536640690000       1.483782850000      -9.487137210000     R=1.72
    149 O       2.804129680000       1.483782850000      -9.340310800000     R=1.72
    150 O       0.432901910000       1.483782850000      -6.892403770000     R=1.72
    151 O      -0.130142540000      -0.442227150000       0.459091260000     R=1.72
    152 O      -1.382875030000      -1.134317150000      -2.267977780000     R=1.72
    153 O       9.260073020000      -0.224567150000     -11.194619560000     R=1.72
    154 O       6.766167880000      -1.207877150000     -12.132207520000     R=1.72
    155 O       4.759599360000       0.085822850000      -5.178669910000     R=1.72
    156 O       3.019930890000      -3.159767150000      -6.915455460000     R=1.72
    157 O       4.842146170000      -1.347187150000      -7.893051910000     R=1.72
    158 O       7.444201800000      -1.242217150000      -9.321208510000     R=1.72
    159 O       8.505303760000      -2.724877150000      -6.882200120000     R=1.72
    160 O       7.384647040000      -0.184077150000      -7.035690730000     R=1.72
    161 O       6.527340220000      -3.502267150000      -8.643168870000     R=1.72
    162 O       5.852517590000      -2.471977150000      -6.000478820000     R=1.72
    163 O       7.887136260000      -3.945717150000      -4.296179190000     R=1.72
    164 O       6.338731640000      -1.898237150000      -3.237448940000     R=1.72
    165 O       4.060964920000      -2.715437150000      -4.380134830000     R=1.72
    166 Mo       3.866858940000       4.820072850000      -6.189893770000     R=1.992
    167 Mo       7.590673900000       3.038062850000     -10.775690740000     R=1.992
    168 Mo       0.028295510000       3.028492850000      -1.497817840000     R=1.992
    169 Mo       3.706917150000       3.194352850000      -9.099947330000     R=1.992
    170 Mo       0.982353820000       3.092412850000      -5.931727630000     R=1.992
    171 Mo       2.651035190000       5.392712850000      -3.004104450000     R=1.992
    172 Mo       6.259532250000       6.538482850000      -3.834627090000     R=1.992
    173 Mo       7.045209140000       4.999972850000      -7.471087040000     R=1.992
    174 Mo       7.045209140000      -2.032407150000      -7.471087040000     R=1.992
    175 Mo       6.259532250000      -3.570917150000      -3.834627090000     R=1.992
    176 Mo       2.651035190000      -2.425147150000      -3.004104450000     R=1.992
    177 Mo       0.982353820000      -0.124847150000      -5.931727630000     R=1.992
    178 Mo       3.706917150000      -0.226787150000      -9.099947330000     R=1.992
    179 Mo       4.077585790000       1.483782850000      -6.042681550000     R=1.992
    180 Mo       0.028295510000      -0.060927150000      -1.497817840000     R=1.992
    181 Mo       7.590673900000      -0.070497150000     -10.775690740000     R=1.992
    182 Mo       3.866858940000      -1.852507150000      -6.189893770000     R=1.992
    183 H       0.985326860000       4.334602850000      -8.089779810000     R=1.30
    184 H       4.105857370000       2.968172850000      -3.323585140000     R=1.30
    185 H       5.026896560000       4.020272850000      -2.702640550000     R=1.30
    186 H       7.237483940000       2.529222850000      -7.790743880000     R=1.30
    187 H       5.787923170000       4.099352850000     -12.080223750000     R=1.30
    188 H      -1.492470390000       3.933832850000      -3.232477190000     R=1.30
    189 H       6.118369120000       6.168112850000      -9.480619670000     R=1.30
    190 H      -1.492470390000      -0.966267150000      -3.232477190000     R=1.30
    191 H       5.787923170000      -1.131787150000     -12.080223750000     R=1.30
    192 H       7.237483940000       0.438342850000      -7.790743880000     R=1.30
    193 H       5.026896560000      -1.052707150000      -2.702640550000     R=1.30
    194 H       4.105857370000      -0.000607150000      -3.323585140000     R=1.30
    195 H       0.985326860000      -1.367037150000      -8.089779810000     R=1.30
    196 H       6.118369120000      -3.200547150000      -9.480619670000     R=1.30
    197 H       0.101847020000       0.503154300000       1.038726590000     R=1.30
    198 H       0.101847020000       2.464411400000       1.038726590000     R=1.30
    End
    GUIBonds
        1 3 43 2.0
        2 6 32 1.0
        3 6 44 1.0
        4 7 50 1.0
        5 8 44 2.0
        6 12 28 2.0
        7 13 55 1.0
        8 15 57 1.0
        9 16 22 2.0
        10 17 41 1.0
        11 17 95 1.0
        12 18 49 2.0
        13 20 54 1.0
        14 22 29 1.0
        15 22 56 1.0
        16 27 45 1.0
        17 27 48 1.0
        18 28 80 2.0
        19 29 98 1.0
        20 34 46 1.0
        21 35 139 1.0
        22 37 51 1.0
        23 39 176 2.0
        24 40 58 2.0
        25 42 53 2.0
        26 42 52 2.0
        27 54 99 1.0
        28 56 98 1.0
        29 59 67 1.0
        30 60 86 1.0
        31 61 96 2.0
        32 62 94 2.0
        33 63 94 2.0
        34 64 106 1.0
        35 65 100 2.0
        36 68 171 2.0
        37 71 105 1.0
        38 71 104 1.0
        39 76 98 2.0
        40 77 101 1.0
        41 79 102 1.0
        42 84 92 2.0
        43 85 103 1.0
        44 86 92 1.0
        45 89 93 2.0
        46 107 128 1.0
        47 110 172 2.0
        48 112 189 1.0
        49 112 173 1.0
        50 113 186 1.0
        51 114 173 2.0
        52 118 179 2.0
        53 119 187 1.0
        54 121 188 1.0
        55 122 168 2.0
        56 125 184 1.0
        57 125 185 1.0
        58 129 166 2.0
        59 130 183 1.0
        60 131 171 2.0
        61 132 169 2.0
        62 133 178 2.0
        63 134 180 1.0
        64 134 168 1.0
        65 135 181 1.0
        66 135 167 1.0
        67 136 176 2.0
        68 137 195 1.0
        69 138 182 2.0
        70 144 180 1.0
        71 144 168 1.0
        72 145 194 1.0
        73 145 193 1.0
        74 150 177 1.0
        75 150 170 1.0
        76 151 180 2.0
        77 152 190 1.0
        78 154 191 1.0
        79 155 179 2.0
        80 159 174 2.0
        81 160 192 1.0
        82 161 196 1.0
        83 161 174 1.0
        84 163 175 2.0
        85 1 42 1.0
        86 1 18 1.0
        87 2 43 2.0
        88 4 43 1.0
        89 4 30 1.0
        90 5 44 1.0
        91 5 18 1.0
        92 7 44 1.0
        93 9 20 1.0
        94 9 44 1.0
        95 10 40 1.0
        96 10 18 1.0
        97 11 18 2.0
        98 13 20 1.0
        99 14 20 2.0
        100 15 22 1.0
        101 18 23 1.0
        102 19 40 1.0
        103 19 96 1.0
        104 20 21 1.0
        105 20 99 3.0
        106 21 99 1.0
        107 22 98 3.0
        108 23 41 1.0
        109 24 30 2.0
        110 25 175 1.0
        111 25 30 1.0
        112 26 41 2.0
        113 28 38 2.0
        114 28 36 1.0
        115 30 47 2.0
        116 31 40 2.0
        117 33 42 2.0
        118 36 41 1.0
        119 41 51 1.0
        120 41 95 3.0
        121 43 46 1.0
        122 64 95 1.0
        123 66 97 2.0
        124 67 93 1.0
        125 69 94 2.0
        126 70 96 2.0
        127 72 95 2.0
        128 73 172 1.0
        129 73 97 1.0
        130 74 97 2.0
        131 75 95 1.0
        132 75 100 1.0
        133 77 98 1.0
        134 78 99 2.0
        135 79 99 1.0
        136 81 100 2.0
        137 82 96 1.0
        138 82 100 1.0
        139 83 99 1.0
        140 83 92 1.0
        141 85 92 1.0
        142 87 92 1.0
        143 87 100 1.0
        144 88 93 1.0
        145 88 97 1.0
        146 90 93 2.0
        147 91 94 1.0
        148 91 100 1.0
        149 108 171 1.0
        150 108 166 1.0
        151 109 172 2.0
        152 111 173 1.0
        153 111 166 1.0
        154 113 173 1.0
        155 115 167 1.0
        156 115 173 1.0
        157 116 169 1.0
        158 116 166 1.0
        159 117 166 2.0
        160 119 167 1.0
        161 120 167 2.0
        162 121 168 1.0
        163 123 170 1.0
        164 123 166 1.0
        165 124 170 2.0
        166 126 169 2.0
        167 127 171 2.0
        168 128 172 1.0
        169 130 170 1.0
        170 137 177 1.0
        171 139 175 1.0
        172 140 179 2.0
        173 141 179 1.0
        174 141 170 1.0
        175 142 176 2.0
        176 143 178 2.0
        177 146 177 2.0
        178 147 177 1.0
        179 147 182 1.0
        180 148 167 1.0
        181 148 181 1.0
        182 149 169 1.0
        183 149 178 1.0
        184 152 180 1.0
        185 153 181 2.0
        186 154 181 1.0
        187 156 182 2.0
        188 157 178 1.0
        189 157 182 1.0
        190 158 181 1.0
        191 158 174 1.0
        192 160 174 1.0
        193 162 174 1.0
        194 162 182 1.0
        195 164 175 2.0
        196 165 176 1.0
        197 165 182 1.0
        198 167 181 3.0
        199 168 180 3.0
        200 170 177 3.0
        201 197 151 1.0
        202 198 122 1.0
    End
    NoPrint LOGFILE
    XC
        GGA PBE
    End
    Relativistic Scalar ZORA
    Geometry
    End
    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

