Task SinglePoint
System
    Atoms
        C -5.69527997235684 -12.31584391077666 0.87523248445623 
        H 0.3580000098067 -16.44465347903055 5.27984462653311 
        C 4.9552828085966 -18.48110244074963 1.0013077253962 
        C -1.43995735643741 -14.78081422538494 0.85267105597693 
        C -4.97881759957556 -8.634403670926529 1.08791681620676 
        N 0.40378987346798 -13.35955080897701 6.56887290026201 
        C 1.0760028061268 -16.60813592997415 8.15786236214217 
        C -3.56946306610497 -13.54713771860109 0.86759937047518 
        C -4.97372593910854 -6.17679551840495 1.19743064813016 
        C 3.53349418220964 -8.65247674726726 1.36197871094633 
        C 3.36289143076967 -13.24840391707983 7.45302977752684 
        C 4.95695715902722 -6.19451325081251 1.43025309173158 
        C -0.09560526902196 -13.23440946141117 4.2812241285361 
        C -3.56395756234419 -11.0938085831255 1.00880489479812 
        C 5.66908385776738 -17.24848005881915 1.07571367581293 
        C 1.40689573254463 -7.42052261997479 1.35535816512575 
        H 5.22650349203715 -13.83086358839325 6.58516797660814 
        H 2.43067285636581 -10.26169334375788 8.413039494347441 
        N -1.45251791301794 -12.52153012167094 8.457880785376901 
        H -0.20595498221442 -15.12888024467252 3.26349754514934 
        C 1.36779655579204 -15.98276695225436 10.46290546471248 
        C 4.95261498621925 -11.11198167076625 1.3076576977133 
        C 4.637503492404 -13.01643329380276 6.98985448197635 
        H -1.46110649747435 -10.46409735804583 8.75159602457853 
        C 5.6645187659584 -7.42518355042182 1.41170677014905 
        C -3.4409708429983 -11.20306588312616 8.382933502058391 
        N 0.81002850084641 -14.35384136210321 8.838543935242139 
        C 5.66183312720809 -12.3408307687113 1.27795726867502 
        C -0.73221023662047 -16.00964674267507 0.82336049603905 
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        C 0.39467600063188 -12.61477816639843 13.17502452906818 
        C -0.72472320403227 -11.09984800135617 1.09613417885716 
        C -0.02081481149952 -14.62065628581671 4.20138620146097 
        C -5.68428741065295 -7.4034884183327 1.1144409231045 
        O 0.31777471431638 -10.82399529445102 7.03344554606969 
        C 0.69464964241762 -11.10296840141563 1.14925583068665 
        C -1.42970814578969 -7.41492950488528 1.27454731689624 
        C 1.38665090753925 -16.95149049454408 9.469048192599249 
        C -4.21660128427767 -12.32841209259263 8.11089932315787 
        C 0.70676289792831 -13.712019286966 12.38915364608378 
        C 2.82309393110627 -14.79169186454478 1.04716501656982 
        C -3.55479068926299 -6.18045820037148 1.25189587161481 
        H 1.06887945880081 -17.3583745065093 7.37676150503329 
        C -3.55954208481554 -13.56136009156902 8.066288773869511 
        C 3.08027972688612 -11.03206297754191 8.007335311059229 
        C 1.03881415157562 -14.67525609484682 10.11935031820181 
        N 0.71358768631715 -12.32783480607429 10.42416274889543 
        C 2.82617599031965 -7.4222451645356 1.38539867750023 
        C -1.43302503331339 -9.87014060883071 1.15020943934885 
        C -5.71443088221093 -17.22242079442323 0.63680230053571 
        H 1.62075265914861 -16.22770456104379 11.48798211466089 
        C -2.07479924498682 -11.33620119347459 8.54765164035922 
        C -4.98341833358148 -11.0908021535892 0.96291538409904 
        O -0.64271624262585 -9.29148160481204 10.44857600512944 
        H 2.9514528226322 -14.25023124134937 7.42309226567048 
        C -1.44606962048734 -17.23240055859366 0.7505982507807401 
        C 0.69383949986508 -13.55570732437311 0.9926709199285501 
        C -3.5587601555169 -8.63814382238656 1.14324794726188 
        C 5.17182878060697 -11.72768849137115 7.05119712250968 
        C 0.46072906342502 -9.81215850866538 10.53278036040264 
        C -3.58061703311839 -18.46084903125702 0.63142164185341 
        C -1.4350569944663 -12.32482399323579 0.99151519712768 
        C 5.66268200399426 -9.882889482852431 1.36073040685538 
        N 2.58249732253964 -12.27688932279008 7.94730531366986 
        C 0.13207021933893 -12.62100101847506 5.50053102720794 
        C 0.49971178005211 -14.70632846019376 6.5386773460241 
        C 0.68822397240172 -18.47117226557727 0.79168448503674 
        C 3.53372060096778 -13.56357620187566 1.14291342630877 
        C 3.53297298312356 -11.10953878317662 1.26392065366562 
        H -0.33350251550008 -12.62180012257053 3.4213911909924 
        C 0.79932040305392 -15.28179039084125 7.84930937777149 
        C 4.36304804817485 -10.72713984319745 7.58864175927852 
        H 4.72847607457495 -9.71010313028439 7.66229283909259 
        C 0.69698220343072 -8.64779734723496 1.28667088725387 
        Ru 0.58370461978229 -12.5386428139847 8.29660624900081 
        H 0.03588056459632 -10.49405978679428 13.13696571598976 
        C 0.11689050548953 -11.09046343701371 5.80764276908527 
        C 1.4040841184602 -14.7876981073729 0.9686835619408199 
        C -3.57279150961892 -16.00311893281538 0.74552490919116 
        O -0.07221588923258 -10.33336945971461 4.88034440551356 
        C -2.19686084660118 -13.61574804490747 8.245552560902031 
        C -5.68963184185091 -9.859269105680189 0.99925407250084 
        C 0.6938148868156 -16.0127398348618 0.88270559410236 
        H -4.11927873917319 -14.46946728071269 7.87661688282986 
        C 5.66501983143751 -14.79764965603819 1.17496022550008 
        C 0.27362418258495 -11.38231264535935 12.5630258070987 
        C -4.99890061984568 -16.00065578585609 0.71185827782874 
        C -5.00324835259816 -18.45783681303188 0.59479398379474 
        C 4.95290681263963 -13.56683000458892 1.20381888392543 
        C 4.95668161784166 -16.02317066215932 1.09660039386241 
        H 0.25298314524563 -12.73793393514964 14.23954930014577 
        C 1.40315887976694 -12.33167383217601 1.10223981801574 
        H -3.90013166249382 -10.22393222092363 8.445122488295739 
        H -1.67892853471184 -14.56732384615588 8.2047461649461 
        C -0.73342201301958 -18.46777643756383 0.72783693619339 
        C -2.86354890412606 -17.2294440393672 0.70792476291601 
        H 1.63754778787336 -17.97668575007855 9.71354690043602 
        C -5.70446807169782 -14.77207194181867 0.7527418000913501 
        C 4.95455381238572 -8.653952130780411 1.38430350299857 
        C 0.46050232947297 -11.26352440311851 11.18638369461201 
        C 2.82373409314413 -9.87918213531476 1.29616308477282 
        C 2.82007363060248 -17.24269160825929 0.9448865294240399 
        C 0.70015815687772 -6.18928548317617 1.37708395919039 
        C 0.84673623871642 -13.54445749328538 11.02048451593169 
        C -0.71929482659138 -6.18694348623489 1.34144688324717 
        C 3.53372496672833 -18.47796996138521 0.93403465428549 
        C -4.98943225918215 -13.54475732224263 0.83287348129655 
        O 1.60618393776292 -9.428524565562769 10.26377150085884 
        C 2.8243491128036 -12.3356485361411 1.17194906692414 
        C 1.40443312296261 -9.87648667753608 1.24882700156636 
        C -2.85746470139879 -12.3229362784127 0.9547695066645 
        C -0.72314043040691 -8.64512051416972 1.24128269599774 
        C -0.72634578864692 -13.55268392453781 0.93519699689052 
        C 0.29083612411224 -15.36470757731425 5.33146892254337 
        C 1.4037306325581 -17.23942533643943 0.87277523831639 
        C 3.53685708296425 -6.19336488518514 1.42410546612156 
        C -2.85228039354353 -9.86741521345556 1.10250857782727 
        H 0.83930241081478 -14.68964091996831 12.83364750097627 
        C 3.53161727450425 -16.01980205013297 1.03095126526224 
        C -2.86076165839934 -14.77867931306877 0.81935342045883 
        H 6.169725820614766 -11.51492237794107 6.697174413464714 
        H -5.280463749486682 -12.25118810778475 7.941686110642429 
        H 1.226322778822465 -19.40748529793233 0.7787392167646926 
        H -1.272992142651447 -19.40102076995889 0.662117142664018 
        H 2.994526728819776 -19.41185652144462 0.8746953487897883 
        H 5.493832418665117 -19.41723081671645 0.9960179990541302 
        H -3.042657478302802 -19.3968458037645 0.6012627420359209 
        H 6.748332568904196 -17.24871180665717 1.115989795318932 
        H 6.744359553948702 -14.79865125935145 1.21270622131773 
        H -5.544088368381497 -19.39075782411945 0.5352082103347829 
        H -6.794124016338506 -17.21748636399598 0.6115359689038191 
        H -6.784051667705327 -14.76761719761884 0.7230868766280528 
        H 6.741301362131622 -12.34235116389086 1.311810159091804 
        H -6.774722666851726 -12.31175438764353 0.8407833175263481 
        H 6.742448651236304 -9.884023408203905 1.383151417469812 
        H -6.768886288800818 -9.854961065808389 0.9593632272940608 
        H 1.241502081092721 -5.255771630237473 1.420657369511962 
        H -1.258626659553486 -5.251552357182818 1.365208399285188 
        H 6.744496940512783 -7.426431714623042 1.418458404937002 
        H -5.512532324313234 -5.241051360150683 1.219122802372281 
        H 5.49816081478068 -5.260090193653028 1.449018838394501 
        H -6.763423919965556 -7.399569616332201 1.071440489856843 
        H -3.013618355705642 -5.247802617810565 1.312608882659027 
        H 2.997422301749408 -5.258058962746869 1.448863258179623 
    End
    BondOrders
         2 114 1.0
         3 15 1.0
         4 29 1.5
         4 120 1.5
         5 58 1.0
         5 82 1.5
         6 65 1.5
         6 66 1.0
         7 38 1.5
         7 43 1.0
         7 71 1.5
         10 99 1.0
         11 55 1.0
         13 33 1.5
         13 65 1.5
         13 70 1.0
         15 90 1.5
         16 48 1.5
         16 74 1.5
         16 103 1.0
         18 45 1.0
         19 52 1.5
         20 33 1.0
         21 38 1.5
         21 46 1.5
         21 51 1.0
         23 11 1.5
         23 17 1.0
         24 52 1.0
         25 12 1.5
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         26 52 1.5
         27 46 1.0
         27 71 1.0
         28 22 1.5
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         29 83 1.0
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         30 58 1.5
         31 40 1.5
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         32 49 1.0
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         36 110 1.0
         39 26 1.5
         39 44 1.5
         41 119 1.5
         42 9 1.5
         42 30 1.0
         48 10 1.5
         49 117 1.5
         50 87 1.5
         50 88 1.0
         53 1 1.5
         53 14 1.0
         53 82 1.5
         56 29 1.5
         56 95 1.0
         57 78 1.0
         57 92 1.5
         59 23 1.5
         60 54 1.5
         61 88 1.5
         61 96 1.0
         62 32 1.5
         62 111 1.0
         62 113 1.5
         63 22 1.0
         63 99 1.5
         64 11 1.5
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         66 71 1.5
         66 114 1.5
         67 95 1.5
         67 115 1.0
         68 41 1.0
         68 109 1.5
         69 22 1.5
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         72 45 1.5
         72 59 1.5
         73 72 1.0
         74 110 1.5
         74 112 1.0
         75 6 1.0
         75 19 1.0
         75 27 1.0
         75 35 1.0
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         81 19 1.5
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         84 44 1.0
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         86 100 1.5
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         101 10 1.5
         101 69 1.0
         101 110 1.5
         102 115 1.5
         102 119 1.5
         103 105 1.5
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         105 37 1.0
         106 3 1.5
         106 102 1.0
         107 1 1.5
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         112 49 1.5
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         116 12 1.5
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         117 14 1.0
         117 58 1.5
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         120 8 1.0
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         121 59 1.0
         122 39 1.0
         123 67 1.0
         124 95 1.0
         125 106 1.0
         126 3 1.0
         127 61 1.0
         128 15 1.0
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         130 88 1.0
         131 50 1.0
         132 98 1.0
         133 28 1.0
         134 1 1.0
         135 63 1.0
         136 82 1.0
         137 103 1.0
         138 105 1.0
         139 25 1.0
         140 9 1.0
         141 12 1.0
         142 34 1.0
         143 42 1.0
         144 116 1.0
    End
End

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