#!/bin/sh

"$ADFBIN/adf" <<eor
    Atoms
    1 Mo       2.590110000000       0.000550000000      -0.181560000000     R=1.992
    2 Mo      -2.380610000000      -0.000280000000      -0.011760000000     R=1.992
    3 Mo      -0.119020000000      -2.148110000000      -0.905900000000     R=1.992
    4 Mo      -0.119840000000       2.148260000000      -0.905520000000     R=1.992
    5 Mo       0.066980000000      -0.000490000000       2.064090000000     R=1.992
    6 O      -0.412140000000       0.000440000000      -0.692110000000     R=1.72
    7 O       4.303600000000       0.000830000000      -0.442520000000     R=1.72
    8 O      -4.085910000000      -0.001030000000      -0.352520000000     R=1.72
    9 O       1.852370000000      -1.546080000000      -0.868280000000     R=1.72
    10 O      -2.021220000000       1.846510000000      -0.456990000000     R=1.72
    11 O       2.187030000000       0.000180000000       1.588150000000     R=1.72
    12 O      -2.018220000000      -0.000980000000       1.790510000000     R=1.72
    13 O      -0.208790000000      -2.236050000000      -2.641610000000     R=1.72
    14 O      -0.210190000000       2.238520000000      -2.641030000000     R=1.72
    15 O       0.069420000000      -3.807760000000      -0.409690000000     R=1.72
    16 O       0.067880000000       3.807340000000      -0.407010000000     R=1.72
    17 O       0.124980000000      -1.681010000000       1.374680000000     R=1.72
    18 O       0.124150000000       1.680500000000       1.376540000000     R=1.72
    19 O       0.198280000000      -0.001300000000       3.796010000000     R=1.72
    20 O      -2.020330000000      -1.846890000000      -0.457850000000     R=1.72
    21 O       1.851520000000       1.547140000000      -0.867860000000     R=1.72
    22 H       0.080155193328       0.737068217603       4.398055600667     R=1.30
    23 H      -0.271675080997      -1.320718201992      -2.924122240695     R=1.30
    End
    Basis
        Type TZP
        Core Large
        CreateOutput None
    End
    GUIBonds
        1 1 7 2.0
        2 1 11 1.0
        3 1 9 1.0
        4 1 21 1.0
        5 2 8 2.0
        6 2 12 1.0
        7 2 10 1.0
        8 2 20 1.0
        9 2 6 1.0
        10 2 5 1.0
        11 2 4 1.5
        12 2 3 1.5
        13 3 13 2.0
        14 3 15 2.0
        15 3 20 1.0
        16 3 9 1.0
        17 3 6 1.0
        18 3 17 1.0
        19 4 14 2.0
        20 4 16 2.0
        21 4 10 1.0
        22 4 21 1.0
        23 4 18 1.0
        24 5 19 2.0
        25 5 18 1.0
        26 5 17 1.0
        27 5 12 1.0
        28 5 11 1.0
        29 22 19 1.0
        30 23 13 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

eor


