Task GeometryOptimization
System
    Atoms
        O -5.948941 -1.224721 6.053324 
        N -4.516617 -0.119658 9.356311 
        N 0.566045 -0.023568 14.934858 
        C -1.686691 -4.572526 15.774823 
        C -4.336635 -4.747143 8.139716 
        C -2.896553 1.482085 10.96797 
        C -4.144015 1.073091 11.428308 
        O -2.189555 -1.51253 7.785084 
        O -2.859002 0.318229 6.621352 
        O -7.231846 -1.865383 4.306642 
        C -4.629869 -3.397234 8.011262 
        N -5.777782 -2.863334 8.485182999999999 
        C -6.675283 -3.688705 9.071788 
        C -6.449091 -5.04869 9.220662000000001 
        H -3.385983 -5.121127 7.758935 
        H -3.919469 -2.707509 7.560531 
        H -7.590747 -3.244262 9.453056 
        C -4.344082 -2.856156 11.436215 
        C -3.091807 -2.409706 11.026705 
        O -4.682331 -1.907529 15.751739 
        O -5.083291 0.090501 14.75261 
        O -0.35346 0.550214 18.288706 
        O -1.548646 -0.114003 16.489589 
        C -1.863447 -3.235585 15.445443 
        N -0.893012 -2.514596 14.837815 
        C 0.279606 -3.123827 14.550401 
        C 0.518548 -4.455739 14.85436 
        H -2.500993 -5.110487 16.260775 
        H -2.803472 -2.7213 15.65499 
        H 1.046542 -2.528045 14.063363 
        H 1.599104 -1.086712 9.378504 
        C 1.535388 -0.02152 13.967439 
        C -2.12386 4.241934 13.73293 
        C -0.911965 3.695042 13.318384 
        C -4.844038 -2.446565 12.661291 
        C -0.688893 2.336947 13.487253 
        N -1.607535 1.513816 14.04469 
        Ru -6.166399 -0.835739 8.202085 
        H -4.512626 1.377156 12.405458 
        H -0.139873 4.306082 12.851659 
        H -1.461078 1.308704 9.364259000000001 
        H 2.792021 -0.309903 11.423519 
        H -2.276607 2.149029 11.56107 
        C -2.739413 -0.379224 7.664811 
        H 0.24146 1.89273 13.144694 
        H -3.496868 1.356543 14.898378 
        C 3.095193 0.689839 15.649252 
        C -0.450801 0.253541 17.08254 
        H 3.627335 0.349146 13.579195 
        H 4.107657 0.97314 15.937606 
        H 2.260375 0.965086 17.642734 
        C 1.027212 -0.430845 12.653716 
        C -2.772044 2.049703 14.473303 
        N -0.31484 -0.735131 12.67227 
        Ru -1.227672 -0.513378 14.358035 
        H -2.685978 -2.680879 10.054066 
        C -6.856863 3.866104 7.132681 
        C -7.839827 3.150291 7.811695 
        C -2.342275 -1.627253 11.894662 
        C -7.6243 1.810752 8.100364000000001 
        N -6.488502 1.169191 7.745737 
        C -5.531257 1.861368 7.085144 
        C -5.687403 3.203216 6.766622 
        C -3.062345 3.398452 14.322464 
        H -8.773539 3.61819 8.122170000000001 
        H -8.379887999999999 1.234658 8.628075000000001 
        H -4.622557 1.313016 6.824308 
        H 1.482224 -4.895206 14.598798 
        H -5.82818 -2.766323 13.003264 
        C -4.071982 -1.613912 13.4784 
        H -4.918682 -3.532532 10.810617 
        C -4.649168 -1.096871 14.785352 
        C -0.960719 -1.242322 11.594295 
        C -0.479484 -5.200661 15.477557 
        H -7.203467 -5.663075 9.71116 
        C -0.285319 -1.369233 10.383264 
        C 1.060928 -1.0064 10.322879 
        H -4.027063 3.774131 14.664206 
        C 1.732346 -0.558111 11.46269 
        H -4.887024 3.717971 6.23449 
        H -0.814437 -1.70907 9.491137 
        C 2.073812 0.685574 16.606294 
        C -9.576198 -2.006426 6.102275 
        C -8.278896 -1.643199 6.436388 
        N -7.988915 -1.308034 7.703457 
        C 2.832428 0.339627 14.323835 
        C -8.912908 -1.307102 8.714383 
        C -10.226009 -1.664359 8.418445999999999 
        C -10.551547 -2.011243 7.106102 
        C -7.075612 -1.57989 5.509494 
        H -10.984653 -1.674162 9.200089 
        H -11.576647 -2.293102 6.865294 
        H -9.811636 -2.282201 5.074739 
        C -8.345363000000001 -0.895421 10.002113 
        N -7.003082 -0.601582 9.924051 
        C -6.313073 -0.074005 10.964675 
        C -5.255329 -5.594339 8.754628 
        C -6.940888 0.08667800000000001 12.19654 
        C -8.283986000000001 -0.271114 12.319669 
        C -9.001606000000001 -0.741386 11.217854 
        H -6.376937 0.441601 13.060518 
        H -8.783588999999999 -0.166109 13.282713 
        H -10.06038 -0.981227 11.303685 
        C -4.940542 0.289608 10.603911 
        C -3.266245 0.202681 8.964549 
        C -2.445512 1.029478 9.738595 
        N -2.820057 -1.246389 13.13231 
        C 0.794623 0.317882 16.212781 
        H -0.31879 -6.25021 15.726448 
        H -5.044574 -6.657672 8.872249 
        H -6.999959 4.920443 6.893562 
        H -2.332801 5.303474 13.596764 
    End
    BondOrders
         1 90 1.5
         2 104 1.0
         2 105 1.5
         3 32 1.0
         3 108 1.5
         4 24 1.5
         4 28 1.0
         4 74 1.5
         5 11 1.5
         5 15 1.0
         5 97 1.5
         6 7 1.5
         6 43 1.0
         6 106 1.5
         7 39 1.0
         7 104 1.5
         8 44 1.5
         9 44 1.5
         10 90 1.5
         11 12 1.5
         11 16 1.0
         12 13 1.5
         13 14 1.5
         13 17 1.0
         14 75 1.0
         14 97 1.5
         18 19 1.5
         18 35 1.5
         18 71 1.0
         19 56 1.0
         19 59 1.5
         20 72 1.5
         21 72 1.5
         22 48 1.5
         23 48 1.5
         24 25 1.5
         24 29 1.0
         25 26 1.5
         26 27 1.5
         26 30 1.0
         27 68 1.0
         27 74 1.5
         31 77 1.0
         32 52 1.5
         32 86 1.5
         33 34 1.5
         33 64 1.5
         33 112 1.0
         34 36 1.5
         34 40 1.0
         35 69 1.0
         35 70 1.5
         36 37 1.5
         36 45 1.0
         37 53 1.5
         38 1 1.0
         38 2 1.0
         38 12 1.0
         38 61 1.0
         38 85 1.0
         38 95 1.0
         41 106 1.0
         42 79 1.0
         44 105 1.0
         46 53 1.0
         47 50 1.0
         47 82 1.5
         47 86 1.5
         48 108 1.0
         49 86 1.0
         51 82 1.0
         52 54 1.0
         52 79 1.5
         53 64 1.5
         54 73 1.0
         55 3 1.0
         55 23 1.0
         55 25 1.0
         55 37 1.0
         55 54 1.0
         55 107 1.0
         57 58 1.5
         57 63 1.5
         57 111 1.0
         58 60 1.5
         58 65 1.0
         59 73 1.5
         59 107 1.0
         60 61 1.5
         60 66 1.0
         61 62 1.5
         62 63 1.5
         62 67 1.0
         63 80 1.0
         64 78 1.0
         70 72 1.0
         70 107 1.5
         73 76 1.5
         74 109 1.0
         76 77 1.5
         76 81 1.0
         77 79 1.5
         82 108 1.5
         83 84 1.5
         83 89 1.5
         83 93 1.0
         84 85 1.5
         84 90 1.0
         85 87 1.0
         87 88 1.5
         87 94 1.5
         88 89 1.5
         88 91 1.0
         89 92 1.0
         94 95 1.0
         94 100 1.5
         95 96 1.0
         96 98 1.5
         96 104 1.5
         97 110 1.0
         98 99 1.5
         98 101 1.0
         99 100 1.5
         99 102 1.0
         100 103 1.0
         105 106 1.5
    End
End

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