Task GeometryOptimization
System
    Atoms
        O -6.31649287744661 -2.708939814797049 5.477486261040685 
        N -4.56140750268711 -0.11548368504201 9.436068937380959 
        N 0.6138945391099599 -0.02546746912234 14.87006211349962 
        C -1.74960992456173 -4.42494931413409 15.97362460250055 
        C -4.34484038395462 -4.71451955258142 7.99582903317323 
        C -2.99422150276489 1.51166233551196 11.06272723881266 
        C -4.22339110273294 1.05123051830145 11.52999580851129 
        O -1.746978878555725 -0.2997190501171298 7.421008171823024 
        O -3.870370101571699 -1.099958070954832 7.166246685739804 
        O -6.775454965178 -0.5406004361566772 4.968644575194929 
        C -4.64861154652777 -3.36163520253785 7.92196328354022 
        N -5.76949555043741 -2.85711217517646 8.48532887806723 
        C -6.6309924455462 -3.70482395326431 9.09207343134528 
        C -6.39482695638563 -5.06786848391283 9.1781939598816 
        H -3.41635682362115 -5.06601477200138 7.54528218729978 
        H -3.97275964758685 -2.65384296367855 7.4427670912018 
        H -7.52344274402497 -3.26725260016122 9.53542242347064 
        C -4.31058457021898 -2.87301608081844 11.43845116869188 
        C -3.08063939289141 -2.39635605537988 10.99035411761544 
        O -4.60339325735607 -1.75638623787906 15.75725524161627 
        O -5.04965683179419 0.15745663831903 14.59310984721614 
        O -0.29646935964604 0.55601506269496 18.21525065876891 
        O -1.50781543638051 -0.11976590348763 16.41339473597067 
        C -1.86278294086113 -3.09205715156432 15.5987252376834 
        N -0.92100427286523 -2.49653857058838 14.83105363694302 
        C 0.15116630329147 -3.21472177878484 14.42995607061943 
        C 0.32059936463666 -4.54587633755818 14.77789371547338 
        H -2.5386710684314 -4.86283117166599 16.58506131382705 
        H -2.733601365406 -2.49090708927124 15.88035067236923 
        H 0.88467708160184 -2.70080710274816 13.81195959616932 
        H 1.57298808607591 -1.02071005081206 9.28215934670026 
        C 1.57609772802776 -0.01820168761635 13.89251214187315 
        C -2.13262213213683 4.24521815380642 13.93702933570716 
        C -0.96169093009198 3.72321843280688 13.39002373020574 
        C -4.78976580024626 -2.47265726409342 12.67306745278008 
        C -0.73097268889456 2.35901050529353 13.47194270402813 
        N -1.59815240197347 1.51197510008783 14.0716373740137 
        Ru -6.1832720870068 -0.84055948357074 8.24127071567519 
        H -4.57957018698933 1.28641757511406 12.53213486326642 
        H -0.23048451382019 4.36070466191511 12.89292013253551 
        H -1.56935426008648 1.4197796227989 9.43780239936858 
        H 2.80075464193001 -0.28235089679586 11.32400314037277 
        H -2.40085478121248 2.19161417409895 11.66861869192358 
        C -2.961251628404178 -0.4760378593404369 7.749905599902993 
        H 0.1618699101415 1.92004888642876 13.03068531511786 
        H -3.40003152687461 1.30855256369315 15.10373840963701 
        C 3.1356601588183 0.7047568033073101 15.57602031123192 
        C -0.41457670701017 0.25455877546034 17.02830523816163 
        H 3.66870078240982 0.36748449163372 13.50614241309664 
        H 4.14802054493351 0.99477182385234 15.86106253208052 
        H 2.28303189963845 0.9767338054139 17.57712225319462 
        C 1.05464299834923 -0.41854014778982 12.58288604541966 
        C -2.71928168133767 2.01832599781413 14.63330085780504 
        N -0.29093494401552 -0.72325367491557 12.61596740485878 
        Ru -1.18862726529498 -0.50537919685846 14.31947661085206 
        H -2.7092855011001 -2.62065135173576 9.99093736409403 
        C -6.71973262796669 3.82559041783068 7.00981624558096 
        C -7.68390692793346 3.20589908862942 7.80250116896128 
        C -2.32379516942424 -1.61222314723665 11.85072552668269 
        C -7.51810246177169 1.87288168578528 8.1453666296688 
        N -6.45188103883923 1.15142864540613 7.73501517621595 
        C -5.51240691162178 1.74433823271574 6.96218614978957 
        C -5.62319458686151 3.07859119735632 6.59095839558964 
        C -3.01693535792382 3.37294191568955 14.56408339788011 
        H -8.56172124376873 3.74503568519224 8.157861048357059 
        H -8.24958428400608 1.35991845244252 8.766745399026179 
        H -4.64734665114678 1.13754780461379 6.67036662741626 
        H 1.20300058923564 -5.0821880507422 14.42954547266862 
        H -5.75367269637766 -2.81503481590074 13.04986032700829 
        C -4.02892927024029 -1.60400689164187 13.46760473353568 
        H -4.88616068689854 -3.55861746971007 10.82270916292802 
        C -4.60420939919936 -1.02204250869729 14.74834268806947 
        C -0.94871675474039 -1.21955568683458 11.53476298620044 
        C -0.64620323786504 -5.16769225860883 15.56566977231798 
        H -7.121538242324 -5.70607790066401 9.680927901217689 
        C -0.29322629674697 -1.32572973771287 10.31071977303644 
        C 1.05315652688023 -0.95920258198199 10.23883113115383 
        H -3.94517883751001 3.72689326149427 15.01327213697641 
        C 1.74053468261194 -0.53000046457554 11.37646778574865 
        H -4.83815818974079 3.51412845788001 5.9726648242639 
        H -0.84489930462348 -1.63613183558242 9.416230493307751 
        C 2.11574459992596 0.69543143740608 16.53686398825375 
        C -9.53072324944498 -2.03811362317195 6.08680994369564 
        C -8.246633833887371 -1.66222567491495 6.45158324861561 
        N -7.99657982200517 -1.31727114146279 7.72403816758174 
        C 2.87275667357096 0.35195934104817 14.25072915429837 
        C -8.94064661729975 -1.32082420619831 8.719307561896001 
        C -10.24427752670896 -1.68955351004952 8.386084195338411 
        C -10.53243534627835 -2.04425233040614 7.06648916315784 
        C -7.00965887417381 -1.60102601226966 5.54710070598683 
        H -11.02610612669461 -1.70251821410193 9.145636046627921 
        H -11.55032158429835 -2.33336036203517 6.80104575431035 
        H -9.71757189809018 -2.32069279626833 5.05019444131314 
        C -8.39492190969623 -0.91711904152865 10.01778810669698 
        N -7.04942337141086 -0.61599216874202 9.959676036047579 
        C -6.37231114351579 -0.11375628831941 11.02604185219907 
        C -5.22381816647541 -5.58768764880551 8.62919272495901 
        C -7.00740556718963 0.0051946243157 12.25938144482042 
        C -8.352593454860139 -0.35934843290582 12.35730093977346 
        C -9.059904310531699 -0.79605948419621 11.23504727855195 
        H -6.43993457147741 0.31739298897043 13.14373265052935 
        H -8.8549958133665 -0.29035931842426 13.32279907794323 
        H -10.11943395677597 -1.04154960549964 11.30735157249593 
        C -5.000646644434 0.27022506840278 10.68512110944174 
        C -3.31802223379991 0.23402356912119 9.04552518731111 
        C -2.53530400163076 1.0960623577272 9.82563567277322 
        N -2.78583384867088 -1.23529997182342 13.09386149030007 
        C 0.83935604691916 0.31829724620329 16.14740445402188 
        H -0.5398424670177699 -6.2148541663882 15.85245191402128 
        H -5.004337278554 -6.65437164441985 8.69295503118644 
        H -6.82404940807489 4.87376057849868 6.72580574968008 
        H -2.34758599456716 5.31307287317534 13.87727425028977 
    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 38 1.0
         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 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
    NumericalQuality Good
EndEngine
