#!/bin/sh

"$ADFBIN/adf" <<eor
    Atoms
    1 Mo       4.185832000000       3.526713000000       6.824945000000     R=1.992
    2 Mo       6.498697000000       3.876278000000      10.279886000000     R=1.992
    3 Mo       4.066807000000       1.827504000000       9.694132000000     R=1.992
    4 Mo       3.269650000000       6.711861000000       8.133875000000     R=1.992
    5 Mo       7.341891000000       7.078895000000       8.964255000000     R=1.992
    6 Mo       4.722763000000       8.751148000000      10.179434000000     R=1.992
    7 O       5.132827000000       3.418842000000       8.845150000000     R=1.72
    8 O       7.092289000000       5.198949000000       8.911760000000     R=1.72
    9 O       3.402120000000       2.059542000000       7.854698000000     R=1.72
    10 O       4.318179000000       5.405413000000       7.053366000000     R=1.72
    11 O       2.087390000000       5.593249000000       8.785640000000     R=1.72
    12 O       7.577664000000       7.633912000000       7.325517000000     R=1.72
    13 O       4.473652000000       8.561467000000      11.906924000000     R=1.72
    14 O       6.678087000000       8.532166000000      10.093465000000     R=1.72
    15 O       6.337759000000       4.981585000000      11.631274000000     R=1.72
    16 O       5.615574000000       2.987903000000       5.979581000000     R=1.72
    17 O       4.634338000000      10.461013000000       9.788844000000     R=1.72
    18 O       5.112998000000       7.173881000000       8.856882000000     R=1.72
    19 O       3.002045000000       8.140128000000       9.492915000000     R=1.72
    20 O       2.926152000000       3.459521000000       5.601633000000     R=1.72
    21 O       8.033008000000       3.042851000000      10.436668000000     R=1.72
    22 O       2.562191000000       1.999854000000      10.582214000000     R=1.72
    23 O       5.351677000000       2.433963000000      11.030673000000     R=1.72
    24 O       8.951403000000       7.149913000000       9.665848000000     R=1.72
    25 O       2.536904000000       7.552889000000       6.781545000000     R=1.72
    26 O       4.471852000000       0.120716000000       9.611672000000     R=1.72
    End
    Basis
        Type TZP
        Core Large
        CreateOutput None
    End
    GUIBonds
        1 1 16 2.0
        2 1 20 2.0
        3 1 10 1.0
        4 1 9 2.0
        5 1 7 1.0
        6 2 21 2.0
        7 2 15 2.0
        8 2 23 1.0
        9 2 8 1.0
        10 2 7 1.0
        11 3 22 2.0
        12 3 26 2.0
        13 3 23 1.0
        14 4 25 2.0
        15 4 11 2.0
        16 4 19 1.0
        17 4 10 1.0
        18 4 18 1.0
        19 4 6 3.0
        20 5 12 2.0
        21 5 24 2.0
        22 5 8 1.0
        23 5 14 2.0
        24 5 18 1.0
        25 6 13 2.0
        26 6 17 2.0
        27 6 19 1.0
        28 2 3 3.0
    End
    NoPrint LOGFILE
    XC
        GGA PBE
    End
    Relativistic Scalar ZORA
    Geometry
    End
    Charge -4.0
    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


