    Atoms
    1 Mo       0.230924000000       1.222595000000       2.782251000000     R=1.992
    2 O       1.444022000000      -0.098142000000       2.631395000000     R=1.72
    3 O      -0.651370000000       1.423710000000       1.222656000000     R=1.72
    4 O       1.083701000000       2.765554000000       3.164941000000     R=1.72
    5 O      -0.940920000000       0.869076000000       4.102863000000     R=1.72
    6 H       1.848608955689       2.892037158302       2.598798058694     R=1.30
    7 H       1.303274590704      -0.067010523183       1.682279096684     R=1.30
    End
    GUIBonds
        1 1 2 2.0
        2 1 5 2.0
        3 1 3 2.0
        4 1 4 2.0
        5 6 4 1.0
        6 7 2 1.0
    End
    NoPrint LOGFILE
    XC
        GGA PBE
    End
    Relativistic Scalar ZORA
    Geometry
    End
    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

