Task GeometryOptimization
System
    Atoms
        C -4.23877541893396 2.7511273184202 -3.63143864190162 
        O -0.9201731042619 0.1990878772738 -2.77998268114387 
        O -3.8300614972219 -2.7101894176109 -1.20993785051263 
        C -3.54990771613214 1.54746572361954 -3.56037755589555 
        O -3.77521281353309 -0.42249872698167 -1.19842847673843 
        N -2.93602549976544 1.03003956685051 -4.65059829508596 
        H 1.65943557038463 -4.45758873728495 -4.64640119833802 
        H -2.70279945640468 -9.710742799208891 -9.69072115242594 
        C -2.98760186331519 1.69796739128529 -5.82283490569339 
        C -3.14368440570233 -10.02577780621142 -7.58825064298354 
        C -3.7959143176482 -9.488449190378541 -6.48044097915221 
        C -4.46969112844721 -8.28376461585707 -6.61487138695125 
        N -4.51480645126747 -7.61708818030674 -7.78800379205347 
        C -3.89029906856014 -8.13329671450014 -8.87293024979644 
        C -3.19644084962533 -9.33362371115186 -8.794947562200051 
        H -3.7872301970593 -9.99281051090788 -5.51427243062016 
        H -4.9884897705051 -7.83205869919682 -5.77092760642734 
        H -3.93766309362806 -7.5447386741906 -9.798986092337501 
        C 0.69838113873105 -4.47970135535092 -2.69965588485448 
        C -0.28736367360349 -3.87166143956043 -1.92887171951745 
        C -1.05905302686862 -2.85458842113501 -2.47385113609174 
        N -0.90182207426268 -2.44726809576894 -3.7551721050901 
        C 0.07851008345344999 -3.01803619495265 -4.49451086398552 
        C 0.88786496633087 -4.03099482015011 -4.00534027530336 
        H -0.47439786317428 -4.16795474116364 -0.8966280584164 
        H -1.83663504193436 -2.37406198483935 -1.88339543667189 
        H 0.20759172086735 -2.64283906686476 -5.50710187017325 
        C -3.65674825041058 2.90592833372331 -5.9503892356826 
        H -4.72201162705936 3.13037043790636 -2.73084874979287 
        H -3.49680667587058 0.95778983410966 -2.63512826487828 
        H -2.47735666390934 1.24524119127804 -6.6714027704543 
        C -3.68513531441706 -1.70597401345092 -6.51201105774984 
        C -4.01080137792562 -1.99789131875414 -7.83284881320189 
        C -3.03829041986177 -1.88929589098226 -8.82749447622138 
        C -1.76559903358373 -1.42246975533278 -8.497208220290471 
        H -5.01106177486836 -2.33165096545536 -8.093473808429961 
        Ru -5.49374035585956 -5.81918342736719 -8.054477289109769 
        H -1.11270219444822 -4.4843794845877 -5.96351026036762 
        H -3.26693412741682 -2.21624405007163 -9.847636962895949 
        H -0.75453639340076 -4.70180846325027 -10.25445813531322 
        H 0.34207179473744 -4.43315417602896 -8.00485930485328 
        C -3.39256272460119 -5.03981416611084 -10.76815078511545 
        H -1.0113847343725 -1.29659877752124 -9.2738439945979 
        C -4.56512305831738 -1.750457865272 -5.34478455607159 
        N -3.97142729046027 -1.52044670609657 -4.1218117779911 
        C -4.73706858915559 -1.60843341457253 -3.01270041359775 
        C -6.11948520089846 -1.83352832377702 -3.08915189982292 
        H -3.66951818967283 3.41196578439019 -6.91565457324368 
        C -6.72343250345309 -1.99331101140567 -4.32336010912271 
        C -5.92859631766834 -1.97149498072825 -5.46699469820996 
        Ru -1.96028176278051 -0.770433747965 -4.39301315818566 
        H -6.36034974008885 -2.09255730073374 -6.45438124382994 
        C 1.80026728597165 0.78107617719791 -5.24118467633302 
        C -8.133523725085681 -2.10242632106798 -9.75661998019457 
        C -7.15712406501956 -2.72306386872046 -10.52918684323054 
        O 1.0886978009527 1.20129425148325 -2.41858712611937 
        C -6.39304622210821 -3.7456109536594 -9.983580668700601 
        N -6.54737141682317 -4.14397751183579 -8.699274953809191 
        C -7.51886730046638 -3.56119961286713 -7.95782703345575 
        C -8.32076543933902 -2.54277740168534 -8.447705045222831 
        H -6.97259944192089 -2.43310226165232 -11.5636709565256 
        H -5.62442455688269 -4.2382256113707 -10.57536409998326 
        H -7.64673621058896 -3.93174559111042 -6.94333573505518 
        H -6.68904683591649 -1.87669456040044 -2.16097951874079 
        H -7.80168018551408 -2.1425740188595 -4.40330528393999 
        C -4.04692690839404 -1.54772022645714 -1.66545166901103 
        C 0.61892234312494 0.42352209225425 -4.60852755514837 
        N -0.34924137606266 -0.18572769242164 -5.30971091012447 
        C -0.25628015069908 -0.479892916302 -6.64749125970943 
        C 0.91660911635201 -0.1290324341482 -7.3161149393547 
        C 1.9423120751843 0.4988444571465 -6.60577857428606 
        C 0.2605487179725 0.6396694292962 -3.13383828745026 
        H 1.03015422564262 -0.3445776176366 -8.37835793296335 
        H 2.86213520572895 0.77160373094898 -7.12452824076274 
        H -9.085097808609699 -2.10578170396622 -7.8050032734716 
        H 2.58006274477816 1.26595708885475 -4.65292424901047 
        C -1.46701353186425 -1.11112225427617 -7.1736126856868 
        C -9.25497372631283 -7.38403596751597 -7.23372252889928 
        C -8.070713421019731 -7.02160571786236 -7.85797588373481 
        N -7.11033870388204 -6.40784972532138 -7.14997164807568 
        C -7.214030369053 -6.11408566026205 -5.81292728905681 
        C -8.39043792771602 -6.4693651832629 -5.15278543618794 
        C -9.408177860778521 -7.10189675919635 -5.87028925536218 
        C -7.70012816575225 -7.23813134344667 -9.329629060477449 
        H -8.512453232223111 -6.25441510777719 -4.09136079985689 
        H -10.33080629908747 -7.37794458740523 -5.35833274608722 
        H -10.02856693116532 -7.87215058165135 -7.82746953081409 
        C -6.0089699153611 -5.47931188228651 -5.27777281685961 
        N -5.05144905640513 -5.26044324413338 -6.24592077951111 
        C -3.78818487710535 -4.87574020515126 -5.92402565762668 
        C -3.47307729976128 -4.58274335269757 -4.60089187154857 
        C -4.45134252501706 -4.69721621292109 -3.61267698851295 
        C -5.72010007113888 -5.16874493434021 -3.95175414860753 
        H -2.47661234796714 -4.24336199976888 -4.33318267198774 
        H -4.22788751340988 -4.37304184516476 -2.59051346683549 
        H -6.47884043047366 -5.29923920573876 -3.18032143164082 
        C -2.90010497136267 -4.82936833412723 -7.08508645011142 
        N -3.48448739115667 -5.06196280989672 -8.311798118941921 
        C -2.71195964003109 -4.97292530686492 -9.41601187719403 
        C -1.33070019942454 -4.74494638274668 -9.330371692380419 
        C -0.73545903695354 -4.58364085738233 -8.092009336373261 
        C -1.53783028770033 -4.60601344795645 -6.95366085324397 
        O -3.65296545195696 -6.16850771676992 -11.23389891866135 
        O -3.61452499087064 -3.8807390964324 -11.22875831725823 
        O -8.520728219115711 -7.80321250284139 -10.05079255232146 
        O -6.51894923074988 -6.79213119571475 -9.67525138760856 
        N -2.41826074243286 -1.32655693313622 -6.19863770151668 
        C -4.29760631314083 3.44509441543167 -4.83676820216364 
        H -2.60496993034571 -10.97127808218437 -7.51041528335568 
        H -8.745974052484129 -1.2986254261182 -10.16706655113018 
        H -4.83170372405294 4.39363417064055 -4.90890954473145 
        H 1.31734989284621 -5.2787863625607 -2.28976329364321 
    End
    BondOrders
         1 4 1.5
         1 29 1.0
         1 108 1.5
         2 72 1.5
         3 66 1.5
         4 6 1.5
         4 30 1.0
         5 66 1.5
         6 9 1.5
         7 24 1.0
         8 15 1.0
         9 28 1.5
         9 31 1.0
         10 11 1.5
         10 15 1.5
         10 109 1.0
         11 12 1.5
         11 16 1.0
         12 13 1.5
         12 17 1.0
         13 14 1.5
         14 15 1.5
         14 18 1.0
         19 20 1.5
         19 24 1.5
         19 112 1.0
         20 21 1.5
         20 25 1.0
         21 22 1.5
         21 26 1.0
         22 23 1.5
         23 24 1.5
         23 27 1.0
         28 48 1.0
         28 108 1.5
         32 33 1.5
         32 44 1.5
         32 107 1.0
         33 34 1.5
         33 36 1.0
         34 35 1.5
         34 39 1.0
         35 43 1.0
         35 77 1.5
         37 13 1.0
         37 58 1.0
         37 80 1.0
         37 89 1.0
         37 98 1.0
         37 106 1.0
         38 102 1.0
         40 100 1.0
         41 101 1.0
         42 99 1.0
         42 103 1.5
         42 104 1.5
         44 45 1.0
         44 50 1.5
         45 46 1.5
         46 47 1.5
         46 66 1.0
         47 49 1.5
         47 64 1.0
         49 50 1.5
         49 65 1.0
         50 52 1.0
         51 2 1.0
         51 6 1.0
         51 22 1.0
         51 45 1.0
         51 68 1.0
         51 107 1.0
         53 67 1.5
         53 71 1.5
         53 76 1.0
         54 55 1.5
         54 60 1.5
         54 110 1.0
         55 57 1.5
         55 61 1.0
         56 72 1.5
         57 58 1.5
         57 62 1.0
         58 59 1.5
         59 60 1.5
         59 63 1.0
         60 75 1.0
         67 68 1.5
         67 72 1.0
         68 69 1.0
         69 70 1.5
         69 77 1.5
         70 71 1.5
         70 73 1.0
         71 74 1.0
         77 107 1.0
         78 79 1.5
         78 83 1.5
         78 87 1.0
         79 80 1.5
         79 84 1.0
         80 81 1.0
         81 82 1.5
         81 88 1.5
         82 83 1.5
         82 85 1.0
         83 86 1.0
         84 105 1.5
         84 106 1.5
         88 89 1.0
         88 93 1.5
         89 90 1.0
         90 91 1.5
         90 97 1.5
         91 92 1.5
         91 94 1.0
         92 93 1.5
         92 95 1.0
         93 96 1.0
         97 98 1.0
         97 102 1.5
         98 99 1.5
         99 100 1.5
         100 101 1.5
         101 102 1.5
         108 111 1.0
    End
End

Engine ADF
    Basis
        Type DZP
        Core Small
    End
    XC
        GGA BP86
        DISPERSION GRIMME4
    End
    NumericalQuality Good
EndEngine
