Task GeometryOptimization
System
    Atoms
        H 3.81457422 3.33362534 -5.40424502 
        H 1.28110438 7.39477163 -4.26216678 
        H -0.95931502 2.48536286 -12.56805866 
        H 7.79199987 3.33666774 -13.24382511 
        H -1.72148465 1.25287501 -4.31114214 
        H 5.53399703 10.91911282 -10.63002248 
        H 0.23162673 0.34861924 -11.95210526 
        C 0.23065276 6.92727398 -10.15875035 
        C 0.46058304 2.39959336 -2.04805491 
        C -0.3297443 2.68722417 -0.93977207 
        C -1.55318861 3.33776025 -1.11261305 
        C -0.59430049 7.34489786 -9.098516030000001 
        C -0.16879711 7.21139435 -11.59715244 
        H 0.24256833 5.13827061 -4.2768434 
        N 1.39804098 6.29390216 -9.918264479999999 
        H 5.0116857 5.51343262 -5.38600049 
        C -0.21045862 7.119823 -7.79031102 
        C 3.61871841 0.6087557 -1.04207765 
        C 2.3816845 1.2481916 -0.93317633 
        H -1.5267809 7.85594187 -9.337067469999999 
        O -0.8347316 6.30188691 -12.14890006 
        Ru 1.0484839 2.29777901 -4.86408672 
        O 0.19549618 8.343245599999999 -12.00523533 
        C 1.77894466 6.05786724 -8.612647279999999 
        H 1.87308472 -0.53605033 -5.42206416 
        Ru 2.88475018 5.63531102 -11.2949601 
        C -1.99074468 3.68482431 -2.39179779 
        H 1.89433625 1.37106029 0.02624203 
        C 0.99853393 6.46580193 -7.54214954 
        C -1.63846476 3.74336438 -7.69212576 
        H -0.84030545 7.45549909 -6.96810167 
        C 3.94654882 5.48562023 -5.15250116 
        C 3.06111067 5.36630154 -8.434442730000001 
        O 2.65437101 6.00048047 -13.39761814 
        H 0.00164511 2.39688882 0.05027496 
        C -0.54194832 3.16415859 -7.0712812 
        N 4.53832 4.86557299 -11.97711854 
        N 3.80919481 7.47777797 -11.06543285 
        N 3.6714117 5.07837938 -9.614675610000001 
        N 1.95923736 3.79068892 -11.52475431 
        H 1.34275267 6.28394501 -6.5314418 
        C 0.68874577 2.54495027 -7.74875679 
        H -3.40984486 4.57352455 -4.88557176 
        O 0.73019768 2.55838922 -8.9793705 
        C 3.68385211 5.00905505 -7.24271806 
        C 3.65632657 5.55271901 -14.10737455 
        C 4.77715597 4.88604588 -13.29725822 
        C 1.88186896 6.52332839 -4.52093337 
        C 5.39924739 4.32858355 -11.05254701 
        C 5.06128101 7.56142157 -10.56431741 
        O 1.58158967 2.05570971 -6.92922468 
        C 3.16708566 8.61287044 -11.42910511 
        C 4.9037091 4.45874987 -9.678597160000001 
        C 2.59773902 2.65172573 -11.17600861 
        O 3.83236807 -0.36634424 -5.33517479 
        C 1.29278884 5.26910277 -4.53264096 
        C 0.70627595 3.71348577 -12.02777591 
        N -0.49559158 3.10738022 -5.73155816 
        C 4.91997576 4.36035509 -7.27548753 
        H -2.17387626 3.56378353 -0.24671298 
        O 4.85704798 1.67906027 -5.21065325 
        N 1.98341643 4.15189412 -4.85111146 
        H 0.81769673 -2.78638281 -5.47487304 
        H 3.21311163 5.24413076 -6.29537995 
        O 3.79252162 5.6108107 -15.32982505 
        H -3.5447961 4.71029069 -7.36298676 
        C 5.95212604 4.33543451 -13.78669471 
        C 3.29506834 4.25726875 -5.16315122 
        C 6.59154655 3.76797288 -11.5097947 
        C 5.7097891 8.77520831 -10.39931349 
        H 3.72839013 7.61159295 -4.82538489 
        H -1.65839746 3.78329799 -8.781890430000001 
        C -1.19078082 3.37971793 -3.48996076 
        H 5.54535765 6.62545487 -10.28943492 
        H -1.62872857 -3.01360772 -4.89436508 
        C 3.76362826 9.85891956 -11.28098836 
        C -1.48456819 3.59023196 -4.91109147 
        H 2.14673006 8.502841719999999 -11.79942818 
        C 5.5374584 4.08457001 -8.496503560000001 
        C -2.60293761 4.17755655 -5.50205402 
        N 0.02417717 2.75638854 -3.28521428 
        C 2.01415704 1.40342359 -11.32232407 
        C -2.67284564 4.25154877 -6.89493204 
        H 3.60007116 2.75957791 -10.76465628 
        C 0.06107469 2.49154775 -12.18259969 
        C 3.23684302 6.63761805 -4.83371222 
        H 5.14932238 -0.03696697 -2.42313685 
        H 0.2261318 4.65344031 -12.28676779 
        H 4.12631171 0.2251589 -0.15855276 
        C 4.12560544 0.73946769 -4.81409866 
        C -1.13843787 -2.03917522 -4.89443344 
        H -2.95291573 4.17694111 -2.53280768 
        C -1.85211094 -0.88666882 -4.56773492 
        H 5.40969641 4.07991909 -6.34400916 
        C -1.19583243 0.33413643 -4.56713708 
        C 6.8613568 3.77415789 -12.88006305 
        H 6.12880627 4.35846309 -14.86272112 
        H 7.30160275 3.33089984 -10.80784906 
        C 5.04963756 9.95005978 -10.75744216 
        C 1.76025255 1.71853453 -2.0794821 
        H 6.71791076 8.791591629999999 -9.985636960000001 
        H 3.19684885 10.74439783 -11.56854818 
        N 0.11463048 0.44583006 -4.8770472 
        N 2.32672169 1.55875473 -3.32808912 
        H 6.51031633 3.59415791 -8.52615617 
        C 0.8109450499999999 -0.66664664 -5.20952005 
        C 0.2087633 -1.91871737 -5.2211841 
        H -2.909088 -0.9263187000000001 -4.30518333 
        C 3.52132466 0.93951975 -3.43420407 
        C 0.71843884 1.31769165 -11.83282559 
        C 4.18838418 0.46006581 -2.29218398 
        H 2.57212471 0.5139421 -11.03114318 
    End
    BondOrders
         1 68 1.0
         2 48 1.0
         3 85 1.0
         4 96 1.0
         5 95 1.0
         6 99 1.0
         7 110 1.0
         8 12 1.5
         8 13 1.0
         8 15 1.5
         9 10 1.5
         9 81 1.0
         9 100 1.5
         10 11 1.5
         10 35 1.0
         11 27 1.5
         11 60 1.0
         12 17 1.5
         12 20 1.0
         13 21 1.5
         13 23 1.5
         14 56 1.0
         15 24 1.0
         16 32 1.0
         17 29 1.5
         17 31 1.0
         18 19 1.5
         18 89 1.0
         18 111 1.5
         19 28 1.0
         19 100 1.5
         22 51 1.0
         22 58 1.0
         22 62 1.0
         22 81 1.0
         22 103 1.0
         22 104 1.0
         24 29 1.5
         24 33 1.5
         25 106 1.0
         26 15 1.0
         26 34 1.0
         26 37 1.0
         26 38 1.0
         26 39 1.0
         26 40 1.0
         27 73 1.5
         27 92 1.0
         29 41 1.0
         30 36 1.5
         30 72 1.0
         30 83 1.5
         32 68 1.5
         32 86 1.5
         33 39 1.0
         33 45 1.5
         34 46 1.5
         36 42 1.0
         36 58 1.5
         37 47 1.5
         37 49 1.0
         38 50 1.5
         38 52 1.5
         39 53 1.0
         40 54 1.5
         40 57 1.5
         42 44 1.5
         42 51 1.5
         43 80 1.0
         45 59 1.5
         45 64 1.0
         46 47 1.0
         46 65 1.5
         47 67 1.5
         48 56 1.5
         48 86 1.5
         49 53 1.5
         49 69 1.5
         50 70 1.5
         50 74 1.0
         52 76 1.5
         52 78 1.0
         53 79 1.5
         54 82 1.5
         54 84 1.0
         55 90 1.5
         56 62 1.5
         57 85 1.5
         57 88 1.0
         58 77 1.0
         59 79 1.5
         59 94 1.0
         61 90 1.5
         62 68 1.5
         63 107 1.0
         66 83 1.0
         67 96 1.5
         67 97 1.0
         69 96 1.5
         69 98 1.0
         70 99 1.5
         70 101 1.0
         71 86 1.0
         73 77 1.5
         73 81 1.0
         75 91 1.0
         76 99 1.5
         76 102 1.0
         77 80 1.5
         79 105 1.0
         80 83 1.5
         82 110 1.5
         82 112 1.0
         85 110 1.5
         87 111 1.0
         90 109 1.0
         91 93 1.5
         91 107 1.5
         93 95 1.5
         93 108 1.0
         95 103 1.5
         100 104 1.0
         103 106 1.5
         104 109 1.5
         106 107 1.5
         109 111 1.5
    End
End

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