Task GeometryOptimization
System
    Atoms
        C -4.23380260395222 2.7612578195585 -3.62657421809001 
        O 0.585880357469071 -0.3602759578856269 -2.32782172302166 
        O -4.494418513947709 -1.938999743863451 -0.7533109922511256 
        C -3.551106857528 1.55379288805384 -3.55762072554764 
        O -2.696740134588809 -1.128652318197449 -1.913741630093786 
        N -2.94659586875247 1.03130957560333 -4.65069742787807 
        H 1.66590423346751 -4.43633774908076 -4.65034324681942 
        H -2.72363129565855 -9.730539846984779 -9.701180896560389 
        C -3.00520852999676 1.69577915120546 -5.82436598567178 
        C -3.14768448055605 -10.03666305122295 -7.59386188469138 
        C -3.78406550992169 -9.49012397660851 -6.48120405344615 
        C -4.45164672581095 -8.281912285138549 -6.61354994403221 
        N -4.50460670668623 -7.61920352847289 -7.78849384106113 
        C -3.89142050595785 -8.1414352638762 -8.876845672824979 
        C -3.20575339552011 -9.346879493907419 -8.80175572970607 
        H -3.76919820251142 -9.990588406961891 -5.5129653531137 
        H -4.95919241586898 -7.82388251807997 -5.76618670557485 
        H -3.94356920457743 -7.55304229537595 -9.803183173522299 
        C 0.71968358307544 -4.45106791932773 -2.69555785515016 
        C -0.26693206979154 -3.84606823990129 -1.9231590068579 
        C -1.04967851550889 -2.8385514067739 -2.46982494079748 
        N -0.9045627946323 -2.43974931120906 -3.75530336679548 
        C 0.07376425418304999 -3.00974349799889 -4.49738954456249 
        C 0.89554884714144 -4.01161413584424 -4.00626598686206 
        H -0.44473110261824 -4.13688720099914 -0.88769441474138 
        H -1.82539331200298 -2.35685645225807 -1.87833960787467 
        H 0.19101568951899 -2.64294948473201 -5.51461522139293 
        C -3.67001651555987 2.90616463962537 -5.95061417726055 
        H -4.70857395546269 3.14521757209821 -2.72338068711955 
        H -3.49449313625067 0.96409696357792 -2.6323922110499 
        H -2.50438556141875 1.23749189899136 -6.67557925193285 
        C -3.68709508316043 -1.70107508415131 -6.51659592295687 
        C -4.00981621301005 -1.99257954408909 -7.83792885556967 
        C -3.03577954138467 -1.88307390582507 -8.831112924986799 
        C -1.76372871331826 -1.41654993113238 -8.49828718932484 
        H -5.00922733813608 -2.3267208933412 -8.10101993896839 
        Ru -5.48619833151849 -5.82244044902268 -8.05258516271075 
        H -1.10773272171589 -4.49010786001826 -5.96224260144254 
        H -3.26366113208545 -2.20832119532898 -9.85203925713288 
        H -0.7528914738997901 -4.70052966741172 -10.25428819107881 
        H 0.34469855322466 -4.43315297258266 -8.003465498370749 
        C -3.39283576854096 -5.03361516555056 -10.76615008368822 
        H -1.00746835118546 -1.29101468921528 -9.273416849379879 
        C -4.56777172974092 -1.75076190906902 -5.349423955177 
        N -3.97512570102461 -1.5240872594776 -4.12546666085626 
        C -4.73986157611074 -1.61283127004989 -3.01611187598792 
        C -6.12309897712318 -1.83370581783236 -3.09388066364452 
        H -3.68933436207276 3.40830055630606 -6.91789898314196 
        C -6.72665634023685 -1.99131146259407 -4.32834868363265 
        C -5.931452393467 -1.96875067477894 -5.47248495867639 
        Ru -1.9688416907963 -0.76843792081962 -4.39541575766615 
        H -6.36506636294085 -2.08425598786736 -6.45977113177911 
        C 1.80741833199889 0.75682135166929 -5.22723373613936 
        C -8.15041926314094 -2.12510432844764 -9.75666225115468 
        C -7.17479468155622 -2.74402903308323 -10.53205608621585 
        O -0.3011044026174049 1.675717691715906 -2.8167593910038 
        C -6.4024227100875 -3.76012266657346 -9.986570134723509 
        N -6.54652890010372 -4.15300191786043 -8.699226941947661 
        C -7.51507339831798 -3.57050239326858 -7.95434020301647 
        C -8.32665788745644 -2.55979228440578 -8.44434434589003 
        H -6.99787559086974 -2.45750243059222 -11.56886012257925 
        H -5.63640036922854 -4.25469042317424 -10.57992182925846 
        H -7.63201521844573 -3.93425305003075 -6.93593624509535 
        H -6.69288242892905 -1.87676920192305 -2.16545170104928 
        H -7.80519196748733 -2.13832363620675 -4.40962668011375 
        C -3.869082358780152 -1.536321973924906 -1.779153858783036 
        C 0.61929739776564 0.41206960222553 -4.59994090692945 
        N -0.3534517404736 -0.18302093451918 -5.30705266656032 
        C -0.25735912060428 -0.47670040491936 -6.64418082359084 
        C 0.92123655254549 -0.13614841360422 -7.30825011070451 
        C 1.95108067289783 0.47855231980493 -6.59256986305725 
        C 0.259000422394 0.6244582423223601 -3.12523237594558 
        H 1.03586734556954 -0.35072499327357 -8.370739537048291 
        H 2.87634482784213 0.74211193709551 -7.10691329788704 
        H -9.08934502922817 -2.12427347766947 -7.79830296225976 
        H 2.5920533356167 1.22870193524573 -4.63472363604331 
        C -1.46783695125509 -1.10457249749026 -7.17448257509307 
        C -9.26247103752546 -7.36024674327042 -7.24294892024232 
        C -8.072334069223819 -7.0103299518159 -7.86346646629761 
        N -7.10626258443724 -6.41090927994298 -7.15086835410459 
        C -7.21142261209991 -6.11725512559475 -5.81442292781641 
        C -8.392500413624649 -6.4624440268941 -5.15717144637603 
        C -9.41531562840896 -7.08209045963246 -5.87858067857685 
        C -7.70232618242971 -7.22208838340763 -9.33584671109325 
        H -8.51422637143583 -6.24822715073977 -4.09540176062905 
        H -10.34241165815189 -7.3495055985772 -5.36956675871156 
        H -10.04160715369289 -7.83570053657127 -7.83984221951063 
        C -6.00602890315343 -5.48566939262248 -5.27674878391364 
        N -5.04708065181121 -5.26689179253704 -6.24359578841668 
        C -3.78464433549777 -4.88233283434462 -5.92144406633138 
        C -3.47072243930686 -4.58908455361087 -4.59837577072194 
        C -4.44985509360911 -4.70334090737182 -3.6106978215068 
        C -5.71840099901284 -5.17407866090174 -3.95090558343995 
        H -2.47433375603229 -4.25034041989128 -4.32936629617412 
        H -4.22644130615659 -4.37925430031479 -2.58837796658575 
        H -6.47863471450211 -5.30308760514944 -3.18023259786947 
        C -2.89706039200617 -4.83072809029549 -7.08328199876473 
        N -3.48142756608158 -5.06052583548696 -8.31069587184864 
        C -2.71029081778563 -4.96988538671339 -9.41544114456809 
        C -1.32830918770957 -4.74415773205979 -9.329362607358339 
        C -0.73285031934594 -4.58353479461072 -8.091316172841839 
        C -1.5350084492583 -4.60776857017401 -6.95208155538089 
        O -3.66497666680094 -6.16042942730479 -11.23010443905995 
        O -3.60924615833038 -3.87331711890781 -11.22664513671512 
        O -8.526763068816139 -7.77776105390528 -10.06076645633708 
        O -6.51556918685808 -6.78850486668246 -9.676689404241531 
        N -2.4215147163382 -1.32085478776724 -6.2019495224672 
        C -4.29763261846471 3.4529373487885 -4.83310071221378 
        H -2.61664444283853 -10.98678475359939 -7.51829291462939 
        H -8.77051370555148 -1.32715918677308 -10.16754840023841 
        H -4.82618307447773 4.40481544018775 -4.90385650218594 
        H 1.3484217889966 -5.24161537562822 -2.28350164780571 
    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 5 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
