#!/bin/sh

"$AMSBIN/ams" << eor

Task GeometryOptimization
System
    Atoms
        O -2.527063679243264 -0.573283947000865 1.838709838986201 
        O 0.08165515946296087 -5.112050821451525 0.786101438941494 
        O -2.001320128096004 -6.63485461040589 -0.4830566641933867 
        O -4.008122075632426 -2.713531729490912 2.926960641525126 
        O -2.47315798737969 -4.323883264146705 1.145287760492188 
        O -3.733114245247698 -2.230448471145997 0.1212687853953475 
        O -1.107044694650304 -2.606895091221467 2.807273715047761 
        O -1.171495731313321 -2.510770828574605 -0.1444115141063729 
        Se 0.2199382770241744 -1.529046990101151 -0.1744593166851787 
        W -2.748665301068224 -2.504828093435084 1.782020121697816 
        W -1.464219262196243 -5.009501506113398 -0.3690623037999869 
        O -2.829537555812022 -0.2444574475702306 -1.424611164985324 
        O -0.1565001188826863 -4.853146590158271 -1.783301019374171 
        O -4.522884830642916 -2.153920973390153 -2.626696188426324 
        O -2.719131315533339 -4.056479846147123 -1.508461836948233 
        O -1.647003657543914 -2.019892942081691 -3.018219199851397 
        W -3.072502305916344 -2.152777232387912 -1.711782754015547 
        O -0.358375402674575 0.306956693869697 -3.142117531241707 
        O 2.885439081917836 0.2663272531311697 1.303407692255505 
        O 2.17632644574782 -4.644646699654611 -0.6697363849293543 
        O 2.103579947735863 -5.718888796720067 -3.336043422792105 
        O 2.570289806289761 -6.226260113472986 1.699181772377331 
        O -0.3764685905408475 -1.228691279727387 -5.508537319796989 
        O 5.137270397151818 -1.290529982824042 1.984536484422983 
        O 0.6417881603732211 -3.30652568354876 -3.8443664136145 
        O 3.433317680841159 -3.50659538527796 1.428382475418916 
        O 1.897074841428853 -0.9741303178768177 -3.791823486160706 
        O 2.537203543205513 -1.670029357417348 3.114377675571582 
        O 3.642111161436222 -1.547170332947929 -0.4934831984166618 
        O 0.9570700630915312 -2.035803507326648 -1.623806621805526 
        O 1.199078991472923 -2.298897132645144 0.9871719793699888 
        W 0.01085096407055371 -1.464759006257797 -3.85477402123386 
        W 3.53352919757284 -1.562353174657287 1.441577404337204 
        W 1.570052205460728 -4.332435417761594 -2.477940366974532 
        W 1.915035981723174 -4.707475433764287 1.244010156084104 
        O 2.604478387583213 0.5717662637448682 -1.727812542408798 
        O 0.2250591682288027 -0.3273088161746402 3.152423707394131 
        O 4.665840359114604 -0.7780272474051941 -3.101613640281218 
        O 0.6097242025068458 -2.300804771246989 5.131269634858667 
        O 3.051195458938277 -3.091181287345377 -2.694246185825141 
        O 1.269883710429751 -3.989343199480918 2.932011845069967 
        W 3.182964956974965 -1.181246503995246 -2.340579463428977 
        W 0.6852522095165521 -2.197916537967016 3.421185722245707 
        O -1.319332498089103 4.627845252724742 1.897392082516181 
        O -3.783019878715741 5.751814403326743 0.9302222122120548 
        O -4.509908562951449 0.7749702652039762 3.324987437424374 
        O -3.541123223269479 3.100786291168911 1.992418545627785 
        O -4.200557004838814 1.019290293147445 0.492053468857867 
        O -1.69908656747831 1.509077152945925 3.276892837194632 
        O -1.827931280147403 2.052876817122988 0.3762859235882414 
        Se -0.2199382770241743 1.529046990101149 0.1744593166851799 
        W -3.279141874785003 1.183132089465023 2.202804451830368 
        W -2.811465212188022 4.356773398979451 0.6995993726602903 
        O -1.557487776434751 4.886749484017997 -0.6720103757994812 
        O -5.024671317961928 1.334581021304734 -2.228669392527074 
        O -3.787096551423132 3.368189709168491 -0.6613310518126366 
        O -2.239045530371913 2.096079302085702 -2.548600077704529 
        W -3.602978879633127 1.5351829505122 -1.290998423883004 
        O 0.7753387881957585 5.095249374521662 0.441554258645334 
        O 0.3218801971161097 6.667780217012565 -1.922764546386671 
        O 0.7885900556700263 6.160408900259648 3.112460648782773 
        O -0.8782550778598791 2.259810714967504 -5.110510523897736 
        O 4.635483909832793 2.197972011870855 2.382563280322233 
        O -0.4261770755165756 4.118143871766858 -2.997235628478905 
        O 2.365352444951371 3.918074170037654 2.275513260554513 
        O 1.429632081837733 2.27560844641662 -3.421038802698194 
        O 2.069760783614399 1.579709406876089 3.485162359034099 
        O 3.050069288608225 2.568801911219467 -0.02386407626979296 
        O 0.300634514257442 2.527844138370944 -1.103109184110925 
        O 0.5426434426388317 2.264750513052456 1.507869417064595 
        W -0.5196256096462228 2.223201176642308 -3.433989691101306 
        W 3.003052623856064 2.125607008242826 1.86236173446977 
        W 0.2228062554689578 5.033839487331253 -1.409278690514257 
        W 0.5677900317314032 4.658799471328569 2.312671832544382 
        O 4.164053871795574 2.710474747289698 -2.703586844381973 
        O 0.1079377151878207 1.187697223447911 5.529296430757927 
        O 1.983230223048491 4.333488267970239 -1.84711540068954 
        O 0.2019184745399613 3.435326355834696 3.779142630205571 
        W 2.652488383258188 2.506713678904876 -1.919795133296429 
        W 0.1547756357997733 1.490043644933097 3.84197005237825 
    End
    Charge -4.0
    BondOrders
         8 9 2.0
         9 30 2.0
         9 31 2.0
         10 1 1.0
         10 4 1.0
         10 5 1.0
         10 6 1.0
         10 7 1.0
         11 2 1.0
         11 3 1.0
         11 5 1.0
         11 13 1.0
         11 15 1.0
         17 6 1.0
         17 12 1.0
         17 14 1.0
         17 15 1.0
         17 16 1.0
         32 16 1.0
         32 18 1.0
         32 23 1.0
         32 25 1.0
         32 27 1.0
         33 19 1.0
         33 24 1.0
         33 26 1.0
         33 28 1.0
         33 29 1.0
         34 13 1.0
         34 20 1.0
         34 21 1.0
         34 25 1.0
         34 40 1.0
         35 2 1.0
         35 20 1.0
         35 22 1.0
         35 26 1.0
         35 41 1.0
         42 27 1.0
         42 29 1.0
         42 36 1.0
         42 38 1.0
         42 40 1.0
         43 7 1.0
         43 28 1.0
         43 37 1.0
         43 39 1.0
         43 41 1.0
         50 51 2.0
         51 69 2.0
         51 70 2.0
         52 1 1.0
         52 46 1.0
         52 47 1.0
         52 48 1.0
         52 49 1.0
         53 44 1.0
         53 45 1.0
         53 47 1.0
         53 54 1.0
         53 56 1.0
         58 12 1.0
         58 48 1.0
         58 55 1.0
         58 56 1.0
         58 57 1.0
         71 18 1.0
         71 57 1.0
         71 62 1.0
         71 64 1.0
         71 66 1.0
         72 19 1.0
         72 63 1.0
         72 65 1.0
         72 67 1.0
         72 68 1.0
         73 54 1.0
         73 59 1.0
         73 60 1.0
         73 64 1.0
         73 77 1.0
         74 44 1.0
         74 59 1.0
         74 61 1.0
         74 65 1.0
         74 78 1.0
         79 36 1.0
         79 66 1.0
         79 68 1.0
         79 75 1.0
         79 77 1.0
         80 37 1.0
         80 49 1.0
         80 67 1.0
         80 76 1.0
         80 78 1.0
    End
End

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