 
    Atoms
    1 O       2.516741000000      -2.686433000000      -4.329400000000     R=1.517
    2 O       0.061130000000      -3.275524000000      -3.263638000000     R=1.517
    3 O      -0.807597974214      -4.998896062272      -5.707380934261     R=1.517
    4 O      -0.335316000000      -2.071827000000      -5.783171000000     R=1.517
    5 O       1.833250000000      -5.111911000000      -4.112812000000     R=1.517
    6 O       2.717380000000      -7.647028000000      -4.996931000000     R=1.517
    7 O       0.756732000000      -6.688754000000      -1.835081000000     R=1.517
    8 O       0.069104000000      -7.439566000000      -4.441223000000     R=1.517
    9 O       2.128085000000      -8.706959000000      -2.694422000000     R=1.517
    10 O       3.560247000000      -6.153185000000      -2.783802000000     R=1.517
    11 O       4.642776000000      -4.362666000000      -4.647975000000     R=1.517
    12 O       2.038423000000      -3.579666000000      -1.921559000000     R=1.517
    13 O       4.229688518752     -10.368112179206      -2.519395479696     R=1.517
    14 O       1.777978000000     -10.940179000000      -1.362029000000     R=1.517
    15 O       2.061448000000       0.063094000000      -4.848473000000     R=1.517
    16 O       4.827566000000      -4.474227000000      -1.717927000000     R=1.517
    17 O       6.892309000000      -3.328158000000      -0.182918000000     R=1.517
    18 Mo       3.525722000000      -4.228380000000      -3.282535000000     R=1.992
    19 O       6.248658000000      -6.226863000000      -0.147635000000     R=1.517
    20 Mo       2.924792000000      -9.585673000000      -1.096749000000     R=1.992
    21 O       2.122495000000      -8.279618000000       0.028963000000     R=1.517
    22 H       1.223754000000      -7.222897000000      -1.156765000000     R=1.350
    23 O       4.309689000000      -2.360796000000      -2.741352000000     R=1.517
    24 O       3.951540000000     -10.437342000000       0.126219000000     R=1.517
    25 H       6.734974000000      -4.054448000000      -3.338076000000     R=1.350
    26 O       6.382243000000      -0.889032000000      -1.327114000000     R=1.517
    27 O       1.737138000000      -1.157127000000      -2.173067000000     R=1.517
    28 O       6.393369000000      -6.691318000000      -2.885138000000     R=1.517
    29 H       0.929993000000      -1.407237000000      -2.682197000000     R=1.350
    30 H       5.486478000000      -1.380846000000      -4.835090000000     R=1.350
    31 O       4.622793000000      -8.259781000000      -1.263825000000     R=1.517
    32 H       3.982859066562      -9.823055107035      -3.386700273803     R=1.350
    33 O       4.748660000000      -0.904027000000      -5.274031000000     R=1.517
    34 H       2.654915000000      -3.478240000000      -6.007914000000     R=1.350
    35 O       7.006539000000      -3.138547000000      -3.099387000000     R=1.517
    36 O       4.367375000000      -2.417949000000      -0.046830000000     R=1.517
    37 O       1.858432000000      -3.697131000000      -6.548610000000     R=1.517
    38 O       3.448194000000      -6.262593000000       0.144154000000     R=1.517
    39 O       3.901320000000       0.307118000000      -2.760301000000     R=1.517
    40 Mo       5.193494000000      -6.516814000000      -1.568562000000     R=1.992
    41 Mo       5.917435000000      -2.591990000000      -1.464030000000     R=1.992
    42 Mo       3.252497000000      -0.859834000000      -3.917299000000     R=1.992
    43 Mo       0.444952000000      -3.516172000000      -5.126585000000     R=1.992
    44 Mo       1.635127000000      -7.060803000000      -3.704132000000     R=1.992
    45 H       1.989065000000      -2.417049000000      -1.923342000000     R=1.350
    46 H       2.774688000000      -7.228079000000      -0.067303000000     R=1.350
    47 H       2.918046000000      -5.678342000000      -0.436287000000     R=1.350
    48 H       3.628653000000      -2.621045000000      -0.662850000000     R=1.350
    49 H       1.022216000000      -3.485473000000      -2.516126000000     R=1.350
    50 H       6.161413035129      -7.614843951236      -2.887550899886     R=1.350
    51 H      -0.677740577995      -6.118386749318      -5.747223268973     R=1.350
    End
    GUIBonds
        1 3 43 2.0
        2 7 22 1.0
        3 8 44 2.0
        4 12 49 1.0
        5 37 43 1.0
        6 13 32 1.0
        7 15 42 2.0
        8 16 18 2.0
        9 17 41 2.0
        10 19 40 2.0
        11 20 24 2.0
        12 25 35 1.0
        13 27 29 1.0
        14 33 30 1.0
        15 34 37 1.0
        16 36 48 1.0
        17 38 47 1.0
        18 38 46 1.0
        19 39 42 2.0
        20 1 42 1.0
        21 1 18 1.0
        22 2 43 2.0
        23 4 43 2.0
        24 5 44 1.0
        25 5 18 1.0
        26 6 44 2.0
        27 7 44 1.0
        28 9 20 1.0
        29 9 44 1.0
        30 10 18 1.0
        31 10 40 1.0
        32 11 18 2.0
        33 12 45 1.0
        34 14 20 2.0
        35 18 23 1.0
        36 20 21 2.0
        37 20 31 1.0
        38 23 41 1.0
        39 26 41 2.0
        40 27 42 1.0
        41 28 40 2.0
        42 31 40 1.0
        43 33 42 1.0
        44 35 41 1.0
        45 36 41 1.0
        46 50 28 1.0
        47 51 3 1.0
    End
    NoPrint LOGFILE
    XC
        GGA PBE
    End
    Relativistic Scalar ZORA
    Geometry
    End
    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

