#!/bin/sh

"$ADFBIN/adf" <<eor
    Atoms
    1 Mo       2.542354000000       0.022445000000      -0.151742000000     R=1.992
    2 Mo      -2.306088000000       0.105805000000      -0.031390000000     R=1.992
    3 Mo      -0.136454000000      -2.216788000000      -0.705453000000     R=1.992
    4 Mo      -0.125913000000       2.173125000000      -1.148613000000     R=1.992
    5 Mo       0.070264000000       0.013492000000       2.172551000000     R=1.992
    6 O      -0.540530000000       0.050665000000      -0.976285000000     R=1.72
    7 O       4.254554000000       0.009796000000      -0.339923000000     R=1.72
    8 O      -3.961502000000      -0.052558000000      -0.491456000000     R=1.72
    9 O       1.828348000000      -1.545788000000      -0.804745000000     R=1.72
    10 O      -2.005554000000       1.930562000000      -0.449319000000     R=1.72
    11 O       2.096289000000       0.028353000000       1.638363000000     R=1.72
    12 O      -1.918641000000      -0.033247000000       1.805789000000     R=1.72
    13 O      -0.179121000000      -2.202141000000      -2.612601000000     R=1.72
    14 O      -0.328043000000       2.452849000000      -2.839253000000     R=1.72
    15 O       0.065653000000      -3.898188000000      -0.448032000000     R=1.72
    16 O       0.131578000000       3.744046000000      -0.450618000000     R=1.72
    17 O       0.138438000000      -1.612774000000       1.279490000000     R=1.72
    18 O       0.090321000000       1.629752000000       1.520687000000     R=1.72
    19 O       0.183727000000      -0.160654000000       4.027303000000     R=1.72
    20 O      -1.944637000000      -1.893617000000      -0.334249000000     R=1.72
    21 O       1.786903000000       1.491038000000      -1.006677000000     R=1.72
    22 H      -0.304720000000      -1.297390000000      -2.980820000000     R=1.30
    End
    Basis
        Type TZP
        Core Large
        CreateOutput None
    End
    GUIBonds
        1 1 9 2.0
        2 1 11 2.0
        3 1 21 2.0
        4 3 17 1.0
        5 5 18 2.0
        6 5 17 1.0
        7 13 22 1.0
        8 5 12 1.0
        9 1 7 2.0
        10 2 8 1.0
        11 2 12 1.0
        12 2 10 1.0
        13 2 6 1.0
        14 2 20 1.0
        15 2 4 1.0
        16 2 5 3.0
        17 2 3 1.0
        18 3 15 2.0
        19 3 20 1.0
        20 3 13 1.0
        21 3 6 1.0
        22 4 14 2.0
        23 4 16 2.0
        24 4 10 1.0
        25 5 19 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

eor


