#!/bin/sh

"$AMSBIN/ams" << eor

Task GeometryOptimization
System
    Atoms
        O 1.115360533030814 1.838731034738327 -1.799040003370773 
        W 0.2570225807840424 3.563609863831883 -2.204491740732968 
        O 0.2974257926413816 3.958958020347076 -0.02098128375772417 
        W 0.02026237590866959 3.70961176180489 1.765619141483381 
        O 1.921967367772932 3.337421126136517 2.093600168521981 
        W 3.176561044818887 1.850888728464251 2.099644036140367 
        O 2.582941550222315 1.317835314689326 3.777710137052481 
        W 1.883214948414159 -0.1796406873146631 5.140013042354949 
        O 0.8530021651130818 -1.492914007386267 6.007475062339872 
        W -1.135751316552532 -1.582833674654456 5.08834347573257 
        O -1.663294547376663 0.022709801153391 5.984983011600439 
        W -0.7941559068152338 1.699416095855496 4.99580470492793 
        O -2.377528413821494 1.493405461368664 3.760854147559706 
        W -3.195552110765735 1.617108852977798 2.039311778962082 
        O -4.144391808684015 -0.0509996476419852 2.237227182537048 
        W -3.263109521100016 -1.818005484954439 1.837367440407483 
        O -2.518002011844359 -1.664090102078912 3.858472379512182 
        W -0.2472632395936493 -0.3968572527577288 0.1683323293226601 
        O 0.6329997314525709 -1.616743263363457 1.424247554961111 
        W 3.030103329346515 -1.940479126218166 1.893543619745855 
        O 2.556975727608711 -1.30924200597753 3.737091061038853 
        O 0.7237868740429655 -1.404814701999231 -1.207595737052158 
        W 0.1082397928734135 -3.592539229137409 -1.794019641685862 
        O 2.005186609050245 -3.445097016436224 -2.134208728065708 
        W 2.943876520198994 -1.679970110570346 -1.982547805299214 
        O 3.135555857657662 -2.106463849309283 0.03789650972561133 
        O -1.65378969495453 -0.06248048530903569 -1.206617403564654 
        W -3.002692861397918 1.71445770215537 -1.813998294325373 
        O -3.413632201548003 1.669509968686872 0.1024278020817174 
        O 0.565854894399373 1.08431671103345 0.6518226581651307 
        O -1.736941123275702 -0.327255259859899 1.420068919257766 
        W 3.097687489269768 2.147346318442001 -1.783066697995933 
        O 3.34701493049617 2.330871827186129 0.06233192399370213 
        O 4.736094147635495 2.621598698154038 -2.384250294680244 
        O 3.295953218732921 0.1441026374901371 -1.598971573108424 
        O 2.764650988444007 1.463860006634472 -3.938772093679054 
        W 1.946023588583621 0.2618755186379089 -5.033571764556417 
        O 0.8436617936772669 -1.497007522737385 -6.035232656776913 
        W -0.7476868577012576 -1.743733563647956 -5.117631011347333 
        O -1.672438048981471 -0.0685909579414747 -5.978288391568013 
        W -1.060090678832786 1.551573311403375 -5.146901447418673 
        O -0.166574518436533 3.039059798752267 -3.945586517446865 
        O 2.294138455511105 3.883754741015438 -2.252319981855064 
        O 4.572182750135523 -2.317895140729117 -2.309872567654561 
        O 2.478306689438596 -1.217783936108687 -3.762198278651746 
        O -0.1570001943400369 -5.27670140937916 -2.32751259152375 
        O -1.698695611009402 -2.891357854561448 -1.521891012144785 
        W -3.099483280739195 -1.656560955033851 -2.073915291662203 
        O -3.638815438556881 -1.793758695513247 0.03873603304898485 
        O -0.1515265992549094 -2.872662723218209 -3.726962739003222 
        O 0.2443489954755034 -3.953528642008914 0.05796349096008811 
        W 0.04977042985267371 -3.598722999599509 2.08888557174406 
        O 2.059987291918602 -3.576458740085148 2.224310513413925 
        O -4.477401073368338 -2.736615796871193 -2.433829882427709 
        O -2.38887283259684 -1.492844920775276 -3.756958168102702 
        O -4.042092906599952 0.05444728290766682 -2.13006214036381 
        O -1.580143216980396 -2.877147826345364 -6.250614699394634 
        O 0.06723138042488452 0.0351832410522018 -4.157275233333625 
        O -0.1026120311120862 -5.346890991088384 2.4527048875143 
        O -1.808831567607484 -3.113421754382816 1.688480244500191 
        O -0.1655781286770419 -2.917080977403077 3.829352011205006 
        O 3.147200616806645 0.04288084720516189 -6.368724144598162 
        O 0.7687221063177936 1.521449384333506 -6.013579990981848 
        O -1.789269273732148 2.662471672941825 -6.368238214792282 
        O -2.344060763036946 1.533100434858939 -3.717627891501489 
        O 4.658732489398354 -2.513392805463315 2.320931669956892 
        O 3.368138625931597 0.04477523360581637 1.585733819166531 
        O -4.331301582352739 2.829424954209381 -2.216699215346855 
        O -1.537814776880878 2.915778825107904 -1.60040372810515 
        O 0.05392402173115265 5.35307978133243 -2.423132876346828 
        O -0.2238872382151499 5.385174979110552 2.317370230185834 
        O -0.1051540961143752 2.876780077100356 3.726689581141393 
        O -1.693305982460442 2.920059459022774 1.632325742018177 
        O -4.522278574965157 2.722440843422663 2.457468141822209 
        O -4.628107280953067 -2.831958790152243 2.41697016328459 
        O 4.774591908299377 2.505862833891664 2.532253947784669 
        O -0.005807389395346682 -0.04909424794703537 4.110517892398252 
        O -1.479463452738936 2.797879190032984 6.254302175822877 
        O 0.9142212880145631 1.39283696935732 5.946137643211052 
        O -1.638118117270874 -2.746571025415649 6.375085277307202 
        O 3.26579736914797 -0.1093251290925145 6.298151610311269 
    End
    Charge -10.0
    BondOrders
         1 2 1.0
         1 18 1.0
         1 32 1.0
         2 3 1.0
         2 42 1.0
         2 43 1.0
         2 69 1.0
         2 70 1.0
         3 4 1.0
         4 5 1.0
         4 71 1.0
         4 72 1.0
         4 73 1.0
         5 6 1.0
         6 7 1.0
         6 33 1.0
         6 67 1.0
         6 76 1.0
         7 8 1.0
         8 9 1.0
         8 21 1.0
         8 77 1.0
         8 79 1.0
         8 81 1.0
         9 10 1.0
         10 11 1.0
         10 17 1.0
         10 61 1.0
         10 77 1.0
         10 80 1.0
         11 12 1.0
         12 13 1.0
         12 72 1.0
         12 77 1.0
         12 78 1.0
         12 79 1.0
         13 14 1.0
         14 15 1.0
         14 29 1.0
         14 73 1.0
         14 74 1.0
         15 16 1.0
         16 17 1.0
         16 31 1.0
         16 49 1.0
         16 60 1.0
         16 75 1.0
         18 19 1.0
         18 22 1.0
         18 27 1.0
         18 30 1.0
         18 31 1.0
         19 20 1.0
         19 52 1.0
         20 21 1.0
         20 26 1.0
         20 53 1.0
         20 66 1.0
         20 67 1.0
         22 25 1.0
         23 24 1.0
         23 46 1.0
         23 47 1.0
         23 50 1.0
         23 51 1.0
         24 25 1.0
         25 26 1.0
         25 35 1.0
         25 44 1.0
         25 45 1.0
         27 28 1.0
         28 29 1.0
         28 56 1.0
         28 65 1.0
         28 68 1.0
         28 69 1.0
         32 33 1.0
         32 34 1.0
         32 35 1.0
         32 36 1.0
         32 43 1.0
         36 37 1.0
         37 38 1.0
         37 45 1.0
         37 58 1.0
         37 62 1.0
         37 63 1.0
         38 39 1.0
         39 40 1.0
         39 50 1.0
         39 55 1.0
         39 57 1.0
         39 58 1.0
         40 41 1.0
         41 42 1.0
         41 58 1.0
         41 63 1.0
         41 64 1.0
         41 65 1.0
         47 48 1.0
         48 49 1.0
         48 54 1.0
         48 55 1.0
         48 56 1.0
         51 52 1.0
         52 53 1.0
         52 59 1.0
         52 60 1.0
         52 61 1.0
    End
End

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