Task GeometryOptimization
System
    Atoms
        N -5.23421994 -5.14729042 -6.99264485 
        C -4.56536693 -2.25346421 -11.02873736 
        C -6.35266603 -8.06415163 -12.94337631 
        C -7.2326544 -7.7319914 -11.91537251 
        C -4.99890024 -7.80335927 -12.78677804 
        O -2.59024284 -5.8392847 -11.72177824 
        O -2.46027659 -7.94987411 -10.88056668 
        H 0.38163306 -3.40417733 -3.10376181 
        O -1.89278706 -4.12023898 -6.57769198 
        C -1.57946838 -3.61460225 -2.19429833 
        C -2.84050692 -3.03219423 -2.09760346 
        C -3.10195979 -1.85560252 -2.78251637 
        N -2.16299664 -1.2331493 -3.53114881 
        C -0.94213572 -1.80853553 -3.63745552 
        C -0.62011987 -2.99115295 -2.98886714 
        H -3.62915275 -3.48376356 -1.49592812 
        H -4.07502497 -1.37080149 -2.74766082 
        H -0.20508925 -1.29636256 -4.24961878 
        O -2.96357212 -5.13310117 -8.29166 
        C -4.39965257 -3.49900937 -10.43974868 
        N -5.34594391 -4.03827346 -9.636594730000001 
        C -6.48241034 -3.34195974 -9.41303914 
        C -6.70773122 -2.09313462 -9.97385538 
        H -3.77482538 -1.8602608 -11.66788079 
        H -3.50262776 -4.10087827 -10.60704949 
        H -7.22946047 -3.79649533 -8.767855490000001 
        H -10.61136035 -6.85158217 -8.102909179999999 
        C -6.50873081 -5.20324694 -6.4997068 
        C -4.26233822 -10.27741944 -6.75527972 
        C -5.41854543 -9.55412001 -6.4714472 
        C -6.73761343 -7.11848043 -10.77186556 
        C -5.59349944 -8.30453898 -7.04511737 
        N -4.67418501 -7.74946687 -7.86962386 
        C -3.56487026 -8.464845650000001 -8.165941589999999 
        C -3.32874739 -9.719594280000001 -7.62481328 
        C -6.78242823 -4.59648033 -5.27759976 
        Ru -2.646624 0.51160558 -4.56611822 
        H -2.6442762 3.32966022 -0.36863619 
        H -6.18664407 -9.94395374 -5.80354829 
        H 1.34177447 2.69586027 -1.8790932 
        H -0.19113983 3.75861467 -0.20504909 
        C 0.62436802 1.05701487 -3.96193875 
        H -6.48682627 -7.7208409 -6.83674794 
        H -2.86188879 -7.98829359 -8.844932200000001 
        C -5.74775324 -3.97007022 -4.5859058 
        C -2.91665496 -4.59063874 -7.10907447 
        H -7.79633996 -4.60046 -4.88370637 
        H -5.9505164 -3.47285106 -3.64165483 
        H -3.63074346 -3.46611915 -4.5835392 
        C -7.44698096 -5.8597201 -7.40990029 
        N -6.86403402 -6.240338 -8.59706989 
        Ru -4.97388588 -5.89648268 -8.784055990000001 
        H -8.294537679999999 -7.95413202 -12.00153975 
        C -3.14589263 4.62507404 -7.11276178 
        C -4.27596556 3.93222619 -6.68668161 
        H -9.274017300000001 -5.81957187 -6.2712953 
        C -4.11749465 2.76340795 -5.95632868 
        N -2.89957877 2.27116089 -5.63900359 
        C -1.79831726 2.9442858 -6.04647021 
        C -1.89104713 4.11719558 -6.78252328 
        H -5.28110268 4.2851619 -6.91492594 
        H -4.98642795 2.2061436 -5.61608258 
        H -0.83399581 2.51893954 -5.75705599 
        H -7.64203211 -1.57470547 -9.75995822 
        H -4.27955335 -8.076556679999999 -13.55835189 
        C -4.5455111 -7.18649785 -11.61590237 
        H -6.72548774 -8.538901510000001 -13.85136925 
        C -3.06283385 -6.96028691 -11.37771973 
        C -7.5765243 -6.78481012 -9.61719828 
        C -5.73464654 -1.53197986 -10.79639165 
        C -8.941487560000001 -7.006399 -9.45472519 
        C -9.547014389999999 -6.66670495 -8.24407851 
        H -2.41151228 -10.24679495 -7.88765148 
        C -8.80356514 -6.08598653 -7.2154233 
        H -0.97617389 4.62379732 -7.08997013 
        H -9.53004119 -7.44738913 -10.25753227 
        C -4.45233161 -3.94891939 -5.11105472 
        C -4.99505937 -1.3639517 -7.47740832 
        C -3.92217984 -0.85892172 -6.75791918 
        N -4.12263055 -0.32195931 -5.54589367 
        C -5.35766174 -0.23047748 -4.96376481 
        C -6.4573936 -0.74322439 -5.64501462 
        C -6.26835432 -1.30949205 -6.90685938 
        C -2.46714964 -0.85358605 -7.1825052 
        H -7.45344334 -0.6909613100000001 -5.20750047 
        H -7.12937296 -1.69401908 -7.4478995 
        H -4.81731219 -1.78553133 -8.46327206 
        C -5.33867056 0.5142354099999999 -3.70124735 
        N -4.08617012 0.97995142 -3.37189109 
        C -3.86224773 1.78708083 -2.3019183 
        C -4.92801437 2.14094146 -1.47885732 
        C -6.20263755 1.65404894 -1.77168076 
        C -6.41640164 0.8423781299999999 -2.8877887 
        H -4.770108 2.78254778 -0.61358268 
        H -7.04126005 1.9166852 -1.12752944 
        H -7.41409504 0.47611385 -3.12480497 
        C -2.44572219 2.13193622 -2.14681331 
        N -1.601136 1.5958369 -3.09592396 
        C -0.2714027 1.77773138 -2.97019739 
        C 0.26239741 2.55917419 -1.94038469 
        C -0.58863637 3.14063159 -1.01059782 
        C -1.96020733 2.91037584 -1.10400011 
        O 0.98454071 -0.09486783 -3.5961121 
        O 0.92992492 1.68358525 -5.01655704 
        O -2.1558875 -1.40564573 -8.25402266 
        O -1.63483206 -0.27786459 -6.36242477 
        N -5.39791629 -6.81943185 -10.63770015 
        C -4.22530741 -4.54482409 -6.34410509 
        H -1.3488257 -4.53775643 -1.66180444 
        H -5.88546027 -0.55151978 -11.24946272 
        H -3.24167759 5.54561237 -7.68964611 
        H -4.094579 -11.25868214 -6.31019739 
    End
    BondOrders
         1 28 1.0
         1 108 1.5
         2 20 1.5
         2 24 1.0
         2 70 1.5
         3 4 1.5
         3 5 1.5
         3 67 1.0
         4 31 1.5
         4 53 1.0
         5 65 1.0
         5 66 1.5
         6 68 1.5
         7 68 1.5
         8 15 1.0
         9 46 1.5
         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 46 1.5
         20 21 1.5
         20 25 1.0
         21 22 1.5
         22 23 1.5
         22 26 1.0
         23 64 1.0
         23 70 1.5
         27 72 1.0
         28 36 1.5
         28 50 1.5
         29 30 1.5
         29 35 1.5
         29 112 1.0
         30 32 1.5
         30 39 1.0
         31 69 1.5
         31 107 1.0
         32 33 1.5
         32 43 1.0
         33 34 1.5
         34 35 1.5
         34 44 1.0
         35 73 1.0
         36 45 1.5
         36 47 1.0
         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
         45 48 1.0
         45 77 1.5
         46 108 1.0
         49 77 1.0
         50 51 1.0
         50 74 1.5
         51 69 1.0
         52 1 1.0
         52 19 1.0
         52 21 1.0
         52 33 1.0
         52 51 1.0
         52 107 1.0
         54 55 1.5
         54 60 1.5
         54 111 1.0
         55 57 1.5
         55 61 1.0
         56 74 1.0
         57 58 1.5
         57 62 1.0
         58 59 1.5
         59 60 1.5
         59 63 1.0
         60 75 1.0
         66 68 1.0
         66 107 1.5
         69 71 1.5
         70 110 1.0
         71 72 1.5
         71 76 1.0
         72 74 1.5
         77 108 1.5
         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
    End
End

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