    Atoms
    1 O      -0.657601000000       1.658171000000       2.156225000000     R=1.72
    2 H      -1.179762000000       0.855393000000       1.411450000000     R=1.30
    3 H      -1.478506000000       0.106672000000      -0.202172000000     R=1.30
    4 H      -0.560385000000       2.524285000000       1.705498000000     R=1.30
    5 O      -1.722506000000       0.000624000000       0.742293000000     R=1.72
    6 H      -2.696359000000       0.116991000000       0.776699000000     R=1.30
    End
    GUIBonds
        1 1 4 1.0
        2 5 3 1.0
        3 5 6 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

