    Atoms
    1 O       2.255104000000      -2.827990000000      -4.186559000000     R=1.517
    2 O       5.254359000000      -4.495266000000      -2.244903000000     R=1.517
    3 H       0.915743000000      -1.996051000000      -2.699613000000     R=1.350
    4 H       1.119633000000      -5.247124000000      -2.007993000000     R=1.350
    5 O       2.114816000000      -5.238222000000      -4.357787000000     R=1.517
    6 O       3.252607000000      -7.587297000000      -4.819863000000     R=1.517
    7 O       0.544444000000      -6.025563000000      -2.380496000000     R=1.517
    8 O       0.346948000000      -7.693832000000      -4.629307000000     R=1.517
    9 O       2.017222000000      -8.534009000000      -2.542798000000     R=1.517
    10 O       3.425819000000      -6.065165000000      -2.501094000000     R=1.517
    11 O       4.534147000000      -4.224990000000      -4.817516000000     R=1.517
    12 O       2.099583000000      -4.114202000000      -1.593788000000     R=1.517
    13 O       2.910800000000      -3.392633000000      -6.730005000000     R=1.517
    14 O       0.141147000000      -2.248347000000      -5.966983000000     R=1.517
    15 Mo       2.995518000000      -0.783094000000      -3.319028000000     R=1.992
    16 O       0.702038000000      -4.896246000000      -6.678613000000     R=1.517
    17 O       7.910259000000      -3.296245000000      -1.389494000000     R=1.517
    18 Mo       3.566729000000      -4.229007000000      -3.274158000000     R=1.992
    19 O       6.485657000000      -6.296573000000      -0.428007000000     R=1.517
    20 Mo       0.905454000000      -3.716320000000      -5.352338000000     R=1.992
    21 O      -0.485054000000      -4.169093000000      -4.069109000000     R=1.517
    22 Mo       1.668842000000      -7.156776000000      -3.594141000000     R=1.992
    23 O       4.003178000000      -2.429354000000      -2.544642000000     R=1.517
    24 O       6.517601000000      -2.626256000000      -3.782482000000     R=1.517
    25 H       5.928414000000      -3.293291000000      -4.228322000000     R=1.350
    26 O       6.341487542068      -0.710443547412      -1.543006705524     R=1.517
    27 O       1.393216000000      -1.376706000000      -2.108198000000     R=1.517
    28 Mo       4.869388000000      -6.589087000000      -1.080852000000     R=1.992
    29 H       1.880077000000      -3.151688000000      -1.532156000000     R=1.350
    30 O       3.371953000000       0.481105000000      -2.146624000000     R=1.517
    31 O       4.291357000000      -8.019495000000      -0.220837000000     R=1.517
    32 H       3.606469000000      -3.678148000000      -6.041907000000     R=1.350
    33 O       4.599799000000      -0.744251000000      -4.505790000000     R=1.517
    34 O       2.020962000000      -0.005049000000      -4.577650000000     R=1.517
    35 O       5.554179000000      -7.494623000000      -2.751072000000     R=1.517
    36 O       5.400118000000      -3.041632000000       0.012677000000     R=1.517
    37 H       2.783841000000      -4.185525000000      -7.290693000000     R=1.350
    38 O       3.849510000000      -5.252113000000       0.033365000000     R=1.517
    39 Mo       6.265360000000      -2.745518000000      -1.739965000000     R=1.992
    40 H       3.134468000000      -4.792253000000      -0.534603000000     R=1.350
    41 H       4.851139000000      -3.888280000000       0.016354000000     R=1.350
    42 H      -0.146559000000      -4.913386000000      -3.465460000000     R=1.350
    43 H       5.297587000000      -1.385212000000      -4.178875000000     R=1.350
    44 H       4.817226000000      -7.448750000000      -3.409730000000     R=1.350
    45 H       3.448073000000      -6.714060000000      -5.221881000000     R=1.350
    46 H       5.813306504720       0.027034535894      -1.699285385744     R=1.350
    End
    GUIBonds
        1 3 27 1.0
        2 4 7 1.0
        3 8 22 2.0
        4 10 28 2.0
        5 12 29 1.0
        6 13 37 1.0
        7 13 32 1.0
        8 15 30 2.0
        9 16 20 2.0
        10 21 42 1.0
        11 24 25 1.0
        12 28 38 1.0
        13 33 43 1.0
        14 35 44 1.0
        15 36 41 1.0
        16 38 40 1.0
        17 1 20 1.0
        18 1 18 1.0
        19 2 18 1.0
        20 2 39 1.0
        21 5 18 1.0
        22 5 22 1.0
        23 6 45 1.0
        24 6 22 1.0
        25 7 22 1.0
        26 9 22 2.0
        27 11 18 2.0
        28 12 18 1.0
        29 14 20 2.0
        30 15 34 2.0
        31 15 33 1.0
        32 15 23 1.0
        33 15 27 1.0
        34 17 39 2.0
        35 18 23 1.0
        36 19 28 2.0
        37 20 21 1.0
        38 24 39 1.0
        39 26 39 2.0
        40 28 31 2.0
        41 28 35 1.0
        42 36 39 1.0
        43 46 26 1.0
    End
    NoPrint LOGFILE
    XC
        GGA PBE
    End
    Relativistic Scalar ZORA
    Geometry
    End
    Charge -5
    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

