    Atoms
    1 Mo      -1.069609000000       0.145982000000       0.135514000000     R=1.992
    2 O      -1.002302000000      -0.076222000000       1.860387000000     R=1.72
    3 O       0.795809000000      -0.033556000000      -0.491925000000     R=1.72
    4 O      -2.545479000000       1.433933000000       0.042493000000     R=1.72
    5 O      -1.175055000000       0.989546000000      -2.299660000000     R=1.72
    6 O      -1.731330000000      -1.340646000000      -0.485075000000     R=1.72
    7 O       0.070305000000       2.311077000000       0.386476000000     R=1.72
    8 H       0.870556000000       2.332102000000      -0.176341000000     R=1.30
    9 H      -0.480597000000       3.056775000000       0.075321000000     R=1.30
    10 H      -2.637427000000       1.771035000000      -0.873915000000     R=1.30
    11 H      -1.592353000000       0.296029000000      -2.850329000000     R=1.30
    12 H      -0.241052000000       0.984709000000      -2.593200000000     R=1.30
    13 H       0.921093000000      -0.902793000000      -0.925748000000     R=1.30
    14 H       1.707400619767       0.181960059649      -0.281797546284     R=1.30
    15 H      -2.976475644454       1.592477743892       0.885526484894     R=1.30
    End
    GUIBonds
        1 1 6 2.0
        2 1 3 1.0
        3 3 13 1.0
        4 4 10 1.0
        5 5 11 1.0
        6 5 12 1.0
        7 7 9 1.0
        8 7 8 1.0
        9 1 2 2.0
        10 1 4 1.0
        11 14 3 1.0
        12 15 4 1.0
    End
    NoPrint LOGFILE
    XC
        GGA PBE
    End
    Relativistic Scalar ZORA
    Geometry
    End
    Charge 2.0
    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

