#!/bin/sh

"$AMSBIN/ams" << eor

Task GeometryOptimization
System
    Atoms
        O 0.210103460455615 1.395609620392091 1.088013394390702 
        W 1.644514892732282 3.035918084537915 1.833315860002672 
        O 1.858923510282297 3.335940701115855 -0.109371742552715 
        W 1.900557106640802 3.178192640905468 -2.03585048717816 
        O 2.573260569285914 4.763793885516092 -2.480624393820898 
        O 2.912528281451254 1.631900913045446 1.799390870380738 
        W 3.54239768842304 -0.2349049983892544 2.128735719768764 
        O 4.046955338429756 -0.05780519766352184 0.04461935412308237 
        W 3.612394374208054 0.06925262618466384 -1.730143484622476 
        O 5.280391723614402 -0.0167761762252619 -2.391528545350594 
        O 1.73521273844964 -1.045800168785254 1.316141605049819 
        W 2.041882817114882 -3.111152910543973 1.776110009909444 
        O 2.101992874507264 -3.525248365606884 0.006148926977921958 
        W 1.663244590726297 -3.088486390571466 -2.129048227272231 
        O 2.648679027187137 -4.560084473931044 -2.463302438124307 
        O 0.1042023885442165 -3.486112237194411 1.970663338735335 
        W -1.729930169697996 -2.990680340910716 1.886294734429999 
        O -1.876796624178066 -3.519089724176966 -0.007686265911325271 
        W -1.608216287225908 -3.309895123263656 -1.9032549045856 
        O -2.778745955459498 -4.560956690301785 -2.413323344056617 
        O 1.676532798803097 -2.473947670885864 3.942058009076852 
        W 1.535977955483434 -1.098706802921932 5.129574701213473 
        O 2.663715772148244 -1.550854480995067 6.468003703103432 
        O 3.788857423232704 -2.177972407157342 2.104701841964935 
        O 2.691947526036471 -4.646869264947945 2.454494035077359 
        O 2.874129408085331 -0.1393716111108564 3.876064129850879 
        O 5.271791455329891 0.1039147503422342 2.477354133633889 
        O -1.061905539735675 -1.136373560537099 1.090048480927345 
        W -3.797429424798699 -0.03026409631255106 1.910753640364436 
        O -3.86468496074158 0.05490768015099939 0.04641775582897898 
        W -3.453492522327379 0.03805180162594422 -1.983391494087559 
        O -5.174621324992648 -0.211031450578984 -2.367210762064317 
        O -2.956895162850679 -0.03899778354686214 3.71846088684837 
        W -1.71985471398763 -0.8290034340854719 4.982806425592099 
        O -2.83562357325667 -1.420239127549239 6.272988883753315 
        O -3.15276242785227 1.84099823171032 1.883689984575599 
        W -1.896194917611737 3.290305377819633 2.08924120845472 
        O -2.01040637205335 3.412298421604282 0.01759228654298907 
        W -1.950337037396676 3.256336092114464 -1.852349523354621 
        O -2.661764873022053 4.821288333316928 -2.311752271087265 
        O -1.4013136720546 2.699815065461504 3.763537493061 
        W 0.08453844819290696 1.928271634641431 5.168572634377144 
        O 0.03934001570339531 3.351524614040684 6.27775272055441 
        O -0.1198850276318959 3.984179301861006 1.79747132328254 
        O -2.885687410882629 4.721551196738394 2.475712137428864 
        O -3.468216422832461 -1.913363764136264 1.89161095599762 
        O -5.515908522988091 0.09952257139048318 2.359732277933332 
        O -1.607597538718237 -2.294173777225224 3.762133467155333 
        O -2.508217803738744 -4.520729051874673 2.405721006292193 
        O 1.183615388476453 2.566692381004923 3.686254536632446 
        O 2.662167482033921 4.434054503344158 2.263637896073903 
        W 0.07316516307571119 -0.07211872359830407 -0.03586563670115334 
        O -1.279012749779271 0.5705635092980961 -1.128348096742326 
        O 0.1718463137438052 -1.968998259554278 -1.277569271571513 
        O 1.565891210501433 0.4217716168112493 -1.14356607728906 
        O 0.004983529090573801 0.009898374901735636 4.140160321958645 
        O 1.423597198641178 0.9484506013424688 6.029305102247499 
        O -0.1026069406739513 -1.622015921716673 6.023757841072912 
        O -1.471472423971596 0.9892912795670519 5.901674961124948 
        O 1.26611722509837 -2.592007172610444 -3.875895836220629 
        W -0.2292706615641509 -1.818384796326534 -5.157362783638566 
        O -0.2200376561530059 -3.110483218907194 -6.414028510232966 
        O 3.078966256341348 -1.790678749263791 -1.915356272598313 
        O -0.01915599710475945 -4.32930844837898 -2.079983740229352 
        O -0.05440558898661575 3.52234851894837 -1.916102918634017 
        O -1.694348482256403 2.56767627064585 -3.777783124959801 
        W -1.602452142327651 1.193195741433154 -5.088903944229447 
        O -2.829734376692373 1.734105055718947 -6.298228453558009 
        O -3.439374465811101 2.037874368784528 -1.853971566422593 
        O -2.823728450652438 -1.728678177208146 -1.770213260109945 
        O -2.810782109384732 0.207230147445963 -3.730379380464627 
        O 2.891957587913722 0.1721649855010696 -3.784425285165374 
        W 1.693314883387108 0.8397618780135665 -5.003407283834959 
        O 2.722072213554562 1.545751485169312 -6.312039836553893 
        O 3.468196575239932 2.074497979871095 -1.910905160304857 
        O 1.545792450744164 2.4379423068052 -3.761163656194761 
        O -1.315766753112622 -2.581978684056535 -3.785824299999902 
        O -0.04457663946062116 0.06718481853051868 -4.125498594621059 
        O -1.564547770464302 -0.7190220071200506 -5.975422957640686 
        O -0.04054140400490477 1.777566731853592 -5.96300699328289 
        O 1.34979923550935 -0.8519938593113329 -5.972555770514424 
    End
    Charge -10.0
    BondOrders
         1 2 1.0
         1 37 1.0
         1 52 1.0
         2 3 1.0
         2 6 1.0
         2 44 1.0
         2 50 1.0
         2 51 1.0
         3 4 1.0
         4 5 1.0
         4 55 1.0
         4 65 1.0
         4 75 1.0
         4 76 1.0
         6 7 1.0
         7 8 1.0
         7 11 1.0
         7 24 1.0
         7 26 1.0
         7 27 1.0
         8 9 1.0
         9 10 1.0
         9 55 1.0
         9 63 1.0
         9 72 1.0
         9 75 1.0
         11 12 1.0
         11 52 1.0
         12 13 1.0
         12 16 1.0
         12 21 1.0
         12 24 1.0
         12 25 1.0
         13 14 1.0
         14 15 1.0
         14 54 1.0
         14 60 1.0
         14 63 1.0
         14 64 1.0
         16 17 1.0
         17 18 1.0
         17 28 1.0
         17 46 1.0
         17 48 1.0
         17 49 1.0
         18 19 1.0
         19 20 1.0
         19 54 1.0
         19 64 1.0
         19 70 1.0
         19 77 1.0
         21 22 1.0
         22 23 1.0
         22 26 1.0
         22 56 1.0
         22 57 1.0
         22 58 1.0
         28 29 1.0
         28 52 1.0
         29 30 1.0
         29 33 1.0
         29 36 1.0
         29 46 1.0
         29 47 1.0
         30 31 1.0
         31 32 1.0
         31 53 1.0
         31 69 1.0
         31 70 1.0
         31 71 1.0
         33 34 1.0
         34 35 1.0
         34 48 1.0
         34 56 1.0
         34 58 1.0
         34 59 1.0
         36 37 1.0
         37 38 1.0
         37 41 1.0
         37 44 1.0
         37 45 1.0
         38 39 1.0
         39 40 1.0
         39 53 1.0
         39 65 1.0
         39 66 1.0
         39 69 1.0
         41 42 1.0
         42 43 1.0
         42 50 1.0
         42 56 1.0
         42 57 1.0
         42 59 1.0
         52 53 1.0
         52 54 1.0
         52 55 1.0
         60 61 1.0
         61 62 1.0
         61 77 1.0
         61 78 1.0
         61 79 1.0
         61 81 1.0
         66 67 1.0
         67 68 1.0
         67 71 1.0
         67 78 1.0
         67 79 1.0
         67 80 1.0
         72 73 1.0
         73 74 1.0
         73 76 1.0
         73 78 1.0
         73 80 1.0
         73 81 1.0
    End
End

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