    Atoms
    1 W       0.946492106418      -0.506420377579       2.114489431552     R=1.992
    2 O      -0.260683679182       0.082890341558       3.273055935032     R=1.72
    3 O       2.512297437448      -0.661918098542       2.931611843459     R=1.72
    4 O       0.399968092280      -2.152113318047       1.367442374509     R=1.72
    5 O       1.068455855019       0.605700859448       0.714056655616     R=1.72
    6 H       0.173194061895      -1.916226895525       0.347635647332     R=1.30
    7 W       0.052619594272       0.378203312801      -1.504297607833     R=1.992
    8 O       1.653806722097       0.975438941946      -1.971851297742     R=1.72
    9 O      -0.052907543420      -1.357355123769      -0.961117848148     R=1.72
    10 O      -1.052094910925       1.574009127343      -0.811722648574     R=1.72
    11 O      -0.821353053263       0.220020502551      -3.229311204676     R=1.72
    12 H      -0.330157623666      -0.347253304481      -3.857381330818     R=1.30
    End
    GUIBonds
        1 1 3 2.0
        2 1 2 2.0
        3 1 4 1.0
        4 4 6 1.0
        5 7 10 2.0
        6 7 9 2.0
        7 11 12 1.0
        8 1 5 2.0
        9 7 8 2.0
        10 7 11 1.0
    End
    NoPrint LOGFILE
    XC
        GGA PBE
    End
    Relativistic Scalar ZORA
    Geometry
        Transitionstate
            Mode 1
        End
        Optim Delocalized
    End
    Charge -2
    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
    TSRC
        DIST 7 5 -1.0
        DIST 1 5 1.0
        DIST 4 1 -1.0
        DIST 4 6 1.0
        DIST 9 6 -1.0
        DIST 7 9 1.0
    END

