#!/bin/sh

"$AMSBIN/ams" << eor

Task GeometryOptimization
System
    Atoms
        I 0.0 0.0 -0.0037618 
        W 0.0793295 3.6147342 1.8848359 
        W 0.0793295 -3.6147342 1.8848359 
        W 3.0907869 -1.8760685 1.8848359 
        W -3.1701164 1.7386658 1.8848359 
        W -3.1701164 -1.7386658 1.8848359 
        W 3.0907869 1.8760685 1.8848359 
        O 0.8214957000000001 1.4228724 1.1223393 
        O -1.6429915 0.0 1.1223393 
        O 0.8214957000000001 -1.4228724 1.1223393 
        O 0.0 0.0 3.9864399 
        O -2.5858803 1.2792596 3.6679894 
        O -2.5858803 -1.2792596 3.6679894 
        O 3.4648775 0.0 1.8311777 
        O 2.4008115 1.5998082 3.6679894 
        O -1.7324387 -3.0006719 1.8311777 
        O 0.1850688 2.8790678 3.6679894 
        O 0.1850688 -2.8790678 3.6679894 
        O -1.7324387 3.0006719 1.8311777 
        O 2.4008115 -1.5998082 3.6679894 
        O -4.0492227 0.0 1.8194725 
        O 2.0246113 3.5067297 1.8194725 
        O 2.0246113 -3.5067297 1.8194725 
        O -0.1032941 5.2733476 2.3765847 
        O -0.1032941 -5.2733476 2.3765847 
        O 4.6185001 -2.5472185 2.3765847 
        O -4.515206 2.7261292 2.3765847 
        O -4.515206 -2.7261292 2.3765847 
        O 4.6185001 2.5472185 2.3765847 
        W 3.1490683 1.7390825 -1.8925748 
        W -3.0806237 -1.8576319 -1.8925748 
        W -0.06844450000000001 -3.5967143 -1.8925748 
        W -0.06844450000000001 3.5967143 -1.8925748 
        W -3.0806237 1.8576319 -1.8925748 
        W 3.1490683 -1.7390825 -1.8925748 
        O 1.6430977 0.0 -1.1438444 
        O -0.8215488 1.4229643 -1.1438444 
        O -0.8215488 -1.4229643 -1.1438444 
        O 0.0 0.0 -3.9662431 
        O 0.1101834 2.8293303 -3.6575578 
        O -2.5053636 1.3192435 -3.6575578 
        O 1.7469316 -3.0257743 -1.6611087 
        O 2.3951802 -1.5100867 -3.6575578 
        O -3.4938632 0.0 -1.6611087 
        O 2.3951802 1.5100867 -3.6575578 
        O -2.5053636 -1.3192435 -3.6575578 
        O 1.7469316 3.0257743 -1.6611087 
        O 0.1101834 -2.8293303 -3.6575578 
        O -2.0051062 3.4729458 -2.0092686 
        O 4.0102124 0.0 -2.0092686 
        O -2.0051062 -3.4729458 -2.0092686 
        O 4.4924828 2.7292692 -2.3855991 
        O -4.6098578 -2.5259696 -2.3855991 
        O 0.1173751 -5.2552388 -2.3855991 
        O 0.1173751 5.2552388 -2.3855991 
        O -4.6098578 2.5259696 -2.3855991 
        O 4.4924828 -2.7292692 -2.3855991 
        W 0.9376622999999999 1.6240788 -4.9365243 
        W 0.9376622999999999 -1.6240788 -4.9365243 
        W -1.8753246 0.0 -4.9365243 
        O -0.8222026 -1.4240968 -5.8367734 
        O -0.8222026 1.4240968 -5.8367734 
        O 1.6444053 0.0 -5.8367734 
        O 1.588111 2.750689 -6.1189412 
        O 1.588111 -2.750689 -6.1189412 
        O -3.1762221 0.0 -6.1189412 
        W 0.9429155 1.6331776 4.9502237 
        W 0.9429155 -1.6331776 4.9502237 
        W -1.8858311 0.0 4.9502237 
        O -0.8365564 -1.4489582 5.8124459 
        O -0.8365564 1.4489582 5.8124459 
        O 1.6731129 0.0 5.8124459 
        O 1.5673335 2.7147012 6.1846296 
        O 1.5673335 -2.7147012 6.1846296 
        O -3.134667 0.0 6.1846296 
        O -0.06841650000000001 3.9661383 -0.0033285 
        O -0.06841650000000001 -3.9661383 -0.0033285 
        O 3.4689848 1.9238187 -0.0033285 
        O -3.4005683 -2.0423196 -0.0033285 
        O 3.4689848 -1.9238187 -0.0033285 
        O -3.4005683 2.0423196 -0.0033285 
    End
    Charge -9.0
    BondOrders
         1 8 1.0
         2 17 1.0
         2 19 1.0
         2 22 1.0
         2 24 1.0
         2 76 1.0
         3 16 1.0
         3 18 1.0
         3 23 1.0
         3 25 1.0
         3 77 1.0
         4 14 1.0
         4 20 1.0
         4 23 1.0
         4 26 1.0
         4 80 1.0
         5 12 1.0
         5 19 1.0
         5 21 1.0
         5 27 1.0
         5 81 1.0
         6 13 1.0
         6 16 1.0
         6 21 1.0
         6 28 1.0
         6 79 1.0
         7 14 1.0
         7 15 1.0
         7 22 1.0
         7 29 1.0
         7 78 1.0
         30 36 1.0
         30 45 1.0
         30 47 1.0
         30 50 1.0
         30 52 1.0
         30 78 1.0
         31 38 1.0
         31 44 1.0
         31 46 1.0
         31 51 1.0
         31 53 1.0
         31 79 1.0
         32 38 1.0
         32 42 1.0
         32 48 1.0
         32 51 1.0
         32 54 1.0
         32 77 1.0
         33 37 1.0
         33 40 1.0
         33 47 1.0
         33 49 1.0
         33 55 1.0
         33 76 1.0
         34 37 1.0
         34 41 1.0
         34 44 1.0
         34 49 1.0
         34 56 1.0
         34 81 1.0
         35 36 1.0
         35 42 1.0
         35 43 1.0
         35 50 1.0
         35 57 1.0
         35 80 1.0
         58 39 1.0
         58 40 1.0
         58 45 1.0
         58 62 1.0
         58 63 1.0
         58 64 1.0
         59 39 1.0
         59 43 1.0
         59 48 1.0
         59 61 1.0
         59 63 1.0
         59 65 1.0
         60 39 1.0
         60 41 1.0
         60 46 1.0
         60 61 1.0
         60 62 1.0
         60 66 1.0
         67 11 1.0
         67 15 1.0
         67 17 1.0
         67 71 1.0
         67 72 1.0
         67 73 1.0
         68 11 1.0
         68 18 1.0
         68 20 1.0
         68 70 1.0
         68 72 1.0
         68 74 1.0
         69 11 1.0
         69 12 1.0
         69 13 1.0
         69 70 1.0
         69 71 1.0
         69 75 1.0
    End
End

Engine ADF
    Basis
        Type TZP
    End
    XC
        Hybrid B3LYP
    End
EndEngine
eor