    Atoms
    1 O      -0.773406025584       1.513557129833       2.036224262358     R=1.72
    2 H      -1.612995991869       1.064403768511       1.764209887499     R=1.30
    3 H      -0.059425767853       0.870841646195       1.796448398965     R=1.30
    4 H      -0.667317780448       2.255900186223       1.389673249552     R=1.30
    5 O      -1.465094678937       0.467814964799       1.026777178082     R=1.72
    6 H      -2.357050543513       0.086691157197       0.809377981653     R=1.30
    7 H      -1.105155918617       0.372851704322       0.141889576192     R=1.30
    End
    GUIBonds
        1 2 1 1.0
        2 3 1 1.0
        3 4 1 1.0
        4 5 2 1.0
        5 6 5 1.0
        6 7 5 1.0
    End
    NoPrint LOGFILE
    XC
        GGA PBE
    End
    Relativistic Scalar ZORA
    Geometry
    End
    Charge +1.0
    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

