Task GeometryOptimization
GeometryOptimization
    Method FIRE
End
System
    Atoms
        H -5.06021996689987 11.20173225583789 0.0 adf.R=1.30
        C -7.7464638576077 1.69954618849234 0.0 adf.R=2.00
        C -9.12398508775278 1.70244721403518 0.0 adf.R=2.00
        H -1.07545919124117 0.75701738834365 0.0 adf.R=1.30
        C -7.00470265159826 2.8933103129959 0.0 adf.R=2.00
        C -7.7106239645538 4.12522745055894 0.0 adf.R=2.00
        C -9.141893936310099 4.12688322044256 0.0 adf.R=2.00
        C -9.859450632292861 2.89750060879862 0.0 adf.R=2.00
        C -6.99047413028307 5.36041960833598 0.0 adf.R=2.00
        C -7.69859233156036 6.58507431103883 0.0 adf.R=2.00
        C -9.130929019834079 6.58861494028793 0.0 adf.R=2.00
        C -9.845612011088029 5.36870766058697 0.0 adf.R=2.00
        C -6.98395117622598 7.82097958916897 0.0 adf.R=2.00
        C -7.691968200297 9.0557546904483 0.0 adf.R=2.00
        C -9.139159674285811 9.063274847717929 0.0 adf.R=2.00
        C -9.840935480197331 7.82888419922282 0.0 adf.R=2.00
        C -6.94908156078472 10.24817179383454 0.0 adf.R=2.00
        C 5.90543204245123 -11.90064383703092 0.0 adf.R=2.00
        C 3.75553100443819 -5.75871556846239 0.0 adf.R=2.00
        C 5.1992462270302 -10.6655300356611 0.0 adf.R=2.00
        C -9.88206950039007 10.26233871073151 0.0 adf.R=2.00
        C 3.73732746427451 6.54479815431519 0.0 adf.R=2.00
        C 0.92182856787013 -3.30051074312569 0.0 adf.R=2.00
        C -1.27781989288104 10.2324516582897 0.0 adf.R=2.00
        H -0.15625953289206 -10.6750074503396 0.0 adf.R=1.30
        C 5.16945222254129 6.53668615264896 0.0 adf.R=2.00
        C 3.02061552309998 5.32583737608182 0.0 adf.R=2.00
        H 1.14301722085849 11.18404604310801 0.0 adf.R=1.30
        C 1.60509012352054 -2.08216676371035 0.0 adf.R=2.00
        C 0.92154966142523 -0.8445620575589 0.0 adf.R=2.00
        H -2.9417934031609 0.72811516269262 0.0 adf.R=1.30
        C -13.4139387510018 9.042339853726711 0.0 adf.R=2.00
        H -15.19527164595964 7.86605419741766 0.0 adf.R=1.30
        H -3.16008610663022 11.19704615665027 0.0 adf.R=1.30
        C 1.57811688646813 0.37314501423394 0.0 adf.R=2.00
        C 7.30118569265162 2.84127709814948 0.0 adf.R=2.00
        C 0.86202677845127 1.64544728008049 0.0 adf.R=2.00
        C -0.5309265093102 1.69313061676021 0.0 adf.R=2.00
        H -7.45570906576889 11.21041718856817 0.0 adf.R=1.30
        C 1.58393816654082 2.86687190030074 0.0 adf.R=2.00
        C 8.02541516420199 -8.2042400591545 0.0 adf.R=2.00
        C 7.34653081657296 -9.4340479977751 0.0 adf.R=2.00
        C 3.76741770658741 -10.66885124079545 0.0 adf.R=2.00
        C 3.06585958279206 -11.90311486447653 0.0 adf.R=2.00
        C 3.75640747009015 9.01560048584574 0.0 adf.R=2.00
        C 3.03682328775696 7.78824848186074 0.0 adf.R=2.00
        C 5.85613180579374 2.84630814183536 0.0 adf.R=2.00
        C 7.98680047059821 1.61753558373995 0.0 adf.R=2.00
        C 5.153104000044 4.07707961524398 0.0 adf.R=2.00
        H -5.33597823304243 0.73394550847746 0.0 adf.R=1.30
        H 9.08912460333385 -0.82638511727429 0.0 adf.R=1.30
        C 8.010248177773549 -3.29009836513152 0.0 adf.R=2.00
        C 1.60313386955533 -4.532824290311 0.0 adf.R=2.00
        H 3.54050314012305 11.17060662932889 0.0 adf.R=1.30
        C 7.33569729345896 -4.51931253606566 0.0 adf.R=2.00
        C 3.72296807193227 4.08255690597521 0.0 adf.R=2.00
        C 3.0137466041523 2.85977714096733 0.0 adf.R=2.00
        C 7.34219001631976 -6.97636559165501 0.0 adf.R=2.00
        H -13.94588149408768 9.995883211561081 0.0 adf.R=1.30
        C 3.05366745566342 -6.98486269841834 0.0 adf.R=2.00
        C 5.86461524175659 5.30389754994042 0.0 adf.R=2.00
        C 5.8912891348957 -4.52451133367553 0.0 adf.R=2.00
        H -7.23943586241428 0.73748958921623 0.0 adf.R=1.30
        C 7.30899677773178 0.39026467900859 0.0 adf.R=2.00
        C 8.029532272418351 -10.65852116629571 0.0 adf.R=2.00
        H 9.112072888809809 -5.74557569700392 0.0 adf.R=1.30
        C -12.07023643926044 1.71926067531657 0.0 adf.R=2.00
        C 3.0243126402727 10.21305781791546 0.0 adf.R=2.00
        C 7.34936699986261 -11.88986347470341 0.0 adf.R=2.00
        C -13.46927602733444 1.74602882474085 0.0 adf.R=2.00
        C 5.89650385225369 -6.98164616518279 0.0 adf.R=2.00
        H -9.637609339729149 0.74334610032565 0.0 adf.R=1.30
        C 5.18973239908105 -5.75498179152821 0.0 adf.R=2.00
        C -11.31420934670544 2.89793102319825 0.0 adf.R=2.00
        C -12.00065001190718 4.14665021571512 0.0 adf.R=2.00
        H -11.80428143642979 11.21041690332102 0.0 adf.R=1.30
        H 9.102155721254981 -3.28404960198738 0.0 adf.R=1.30
        C -13.43659145687776 4.16964600950376 0.0 adf.R=2.00
        C -14.14898834398769 2.94823736143746 0.0 adf.R=2.00
        C -14.10339212113053 7.86791914116026 0.0 adf.R=2.00
        C 3.74963451156884 -3.30345666898338 0.0 adf.R=2.00
        C 3.04737710186826 -4.52846934970857 0.0 adf.R=2.00
        H 9.117425096059931 -8.202596368066651 0.0 adf.R=1.30
        C -11.26174633678068 10.26308245532784 0.0 adf.R=2.00
        C 0.9357424206859 -10.67094696614372 0.0 adf.R=2.00
        C -11.27840604135706 5.37086549534705 0.0 adf.R=2.00
        H -9.36983657759578 11.22170310942058 0.0 adf.R=1.30
        C -11.98083501533753 6.60005715499148 0.0 adf.R=2.00
        H -11.57679743064491 0.74971242810418 0.0 adf.R=1.30
        H -14.02260739493128 0.80538958049284 0.0 adf.R=1.30
        C 1.62075735291239 -11.89779776606786 0.0 adf.R=2.00
        H -0.7653951038143399 11.191528151967 0.0 adf.R=1.30
        C -13.41823418931792 6.61052879760062 0.0 adf.R=2.00
        C 5.20694128567494 -13.1263337453204 0.0 adf.R=2.00
        C -3.44781758491387 1.69078375793066 0.0 adf.R=2.00
        C -4.82400445696302 1.69329316245705 0.0 adf.R=2.00
        C 5.86434493241284 0.38999172726938 0.0 adf.R=2.00
        C 5.15110928998556 1.61871814539507 0.0 adf.R=2.00
        C 3.71967677660877 1.6192262787618 0.0 adf.R=2.00
        C -2.70716951709963 2.88393457624656 0.0 adf.R=2.00
        C 3.01663490452542 0.38972664599276 0.0 adf.R=2.00
        C 3.7696601619462 -13.12955865553405 0.0 adf.R=2.00
        C -3.4139455311766 4.11590340680224 0.0 adf.R=2.00
        C -4.84518033185333 4.11963129510113 0.0 adf.R=2.00
        C -14.10920604330374 5.4065149634516 0.0 adf.R=2.00
        C 1.61324440516968 -9.44330121086009 0.0 adf.R=2.00
        C -5.55856435444251 2.89083851715474 0.0 adf.R=2.00
        C -2.6969257725332 5.35119937078662 0.0 adf.R=2.00
        C 0.92936028725835 -8.21594558717616 0.0 adf.R=2.00
        H -15.20128465064611 5.41481259299506 0.0 adf.R=1.30
        C -3.40762702573771 6.57342367035979 0.0 adf.R=2.00
        C -4.84098159436017 6.57774445183973 0.0 adf.R=2.00
        H -15.24029081696772 2.97007071234809 0.0 adf.R=1.30
        H -0.17030190566302 -3.299652383917 0.0 adf.R=1.30
        C -5.55772930185997 5.35708098877839 0.0 adf.R=2.00
        C -2.68816582770793 7.80844426120131 0.0 adf.R=2.00
        H 9.078639280267909 1.62193964774985 0.0 adf.R=1.30
        H -0.16591536313708 -0.88680701933419 0.0 adf.R=1.30
        C -3.39428394502773 9.039874229357039 0.0 adf.R=2.00
        C -4.83916178293019 9.044294523832029 0.0 adf.R=2.00
        C 1.60745703811106 -6.98741985953946 0.0 adf.R=2.00
        C 0.92404388303855 -5.75937405813298 0.0 adf.R=2.00
        C -5.55317169851714 7.81580086985238 0.0 adf.R=2.00
        C -2.65272692244652 10.23540095012191 0.0 adf.R=2.00
        H -0.16797736179502 -5.76130938005192 0.0 adf.R=1.30
        H -0.16265070019535 -8.21875153081321 0.0 adf.R=1.30
        C 7.99728313336132 -0.83370545984142 0.0 adf.R=2.00
        C 7.32308010012816 -2.0631275140522 0.0 adf.R=2.00
        H 9.12152474159878 -10.65779312107419 0.0 adf.R=1.30
        C 8.020098163996691 -5.7482573159402 0.0 adf.R=2.00
        C -5.57297622453857 10.24293575126195 0.0 adf.R=2.00
        C 5.90045691293889 -9.44035750609727 0.0 adf.R=2.00
        C 0.87429089852379 4.1028980281137 0.0 adf.R=2.00
        C -0.55042070194649 4.11585227050921 0.0 adf.R=2.00
        C 5.19465002573445 -8.21013810836471 0.0 adf.R=2.00
        C -1.25716684910123 2.88103506179614 0.0 adf.R=2.00
        C 1.59046957169531 5.33441977754912 0.0 adf.R=2.00
        C 5.18266144121039 -3.29872133319013 0.0 adf.R=2.00
        C 0.88403169026976 6.56197134372953 0.0 adf.R=2.00
        C -0.54572001923306 6.56858399171558 0.0 adf.R=2.00
        C -1.2630470471225 5.3481424697564 0.0 adf.R=2.00
        C 1.60601218101497 7.79491846587334 0.0 adf.R=2.00
        C 0.90207507815636 9.02825973128579 0.0 adf.R=2.00
        C -0.54329139164521 9.033305836445519 0.0 adf.R=2.00
        C -1.25767030026751 7.80589894453204 0.0 adf.R=2.00
        C 1.64710085041441 10.22055830253747 0.0 adf.R=2.00
        C -11.26735329526732 7.8279394869676 0.0 adf.R=2.00
        C -11.98487304968457 9.059365617510119 0.0 adf.R=2.00
        C 3.76171788506978 -8.213443899962931 0.0 adf.R=2.00
        C 3.0601881424319 -9.443095126670899 0.0 adf.R=2.00
        C 5.87891368384758 -2.06645905811688 0.0 adf.R=2.00
        C 5.16699637757323 -0.83860959197055 0.0 adf.R=2.00
        C 3.73283863193175 -0.84104450908605 0.0 adf.R=2.00
        C 3.04201680263828 -2.07309824805178 0.0 adf.R=2.00
        H 6.944595446638015 5.297358661328681 0.0 adf.R=1.30
        H 5.716831060236445 7.467694427608694 0.0 adf.R=1.30
        H 7.848833831116957 3.772126987463246 0.0 adf.R=1.30
        H 4.836361448723948 9.025570642967377 0.0 adf.R=1.30
        H 7.901664821668942 -12.8179621311123 0.0 adf.R=1.30
        H 5.750616554583161 -14.05950961404911 0.0 adf.R=1.30
        H 1.072340602449262 -12.82819502950508 0.0 adf.R=1.30
        H 3.229481591853486 -14.06476297139909 0.0 adf.R=1.30
    End
    BondOrders
         1 131 1.0
         2 3 1.5
         2 5 1.5
         2 63 1.0
         3 8 1.5
         3 72 1.0
         5 6 1.5
         5 107 1.0
         6 7 1.0
         6 9 1.5
         7 8 1.5
         7 12 1.5
         8 74 1.0
         9 10 1.5
         9 115 1.0
         10 11 1.0
         10 13 1.5
         11 12 1.5
         11 16 1.5
         12 86 1.0
         13 14 1.5
         13 123 1.0
         14 15 1.0
         14 17 1.5
         15 16 1.5
         15 21 1.5
         16 147 1.0
         17 39 1.0
         17 131 1.5
         18 20 1.5
         18 69 1.0
         18 94 1.5
         19 60 1.5
         19 73 1.0
         19 82 1.5
         20 43 1.0
         20 132 1.5
         21 84 1.5
         21 87 1.0
         22 26 1.0
         22 27 1.5
         22 46 1.5
         23 29 1.5
         23 53 1.5
         23 114 1.0
         24 92 1.0
         24 124 1.5
         24 144 1.5
         26 61 1.5
         27 56 1.5
         27 137 1.0
         28 146 1.0
         29 30 1.5
         29 154 1.0
         30 35 1.5
         30 118 1.0
         32 59 1.0
         34 124 1.0
         35 37 1.0
         35 101 1.0
         36 47 1.0
         36 48 1.5
         37 38 1.5
         37 40 1.5
         38 4 1.0
         38 136 1.5
         40 57 1.0
         40 133 1.5
         41 42 1.5
         43 44 1.5
         43 150 1.5
         44 91 1.0
         44 102 1.5
         45 46 1.5
         45 68 1.5
         46 142 1.0
         47 49 1.5
         48 64 1.5
         48 117 1.0
         49 56 1.0
         49 61 1.5
         51 127 1.0
         54 68 1.0
         55 52 1.5
         55 62 1.0
         55 130 1.5
         56 57 1.5
         58 41 1.5
         58 71 1.0
         58 130 1.5
         60 121 1.0
         60 149 1.5
         62 73 1.5
         62 138 1.5
         64 97 1.0
         64 127 1.5
         65 42 1.5
         65 69 1.5
         65 129 1.0
         66 130 1.0
         67 70 1.5
         67 74 1.5
         68 146 1.5
         70 79 1.5
         71 73 1.5
         71 135 1.5
         74 75 1.5
         75 78 1.0
         75 86 1.5
         76 84 1.0
         77 52 1.0
         78 79 1.5
         78 105 1.5
         80 32 1.5
         80 33 1.0
         80 93 1.5
         81 82 1.5
         81 138 1.0
         81 154 1.5
         82 53 1.0
         83 41 1.0
         84 148 1.5
         85 25 1.0
         85 91 1.5
         85 106 1.5
         86 88 1.5
         88 93 1.0
         88 147 1.5
         89 67 1.0
         90 70 1.0
         93 105 1.5
         94 102 1.0
         95 31 1.0
         95 96 1.5
         95 100 1.5
         96 50 1.0
         96 107 1.5
         97 98 1.5
         97 152 1.5
         98 47 1.5
         98 99 1.0
         99 57 1.5
         99 101 1.5
         100 103 1.5
         100 136 1.0
         101 153 1.5
         103 104 1.0
         103 108 1.5
         104 107 1.5
         104 115 1.5
         106 109 1.5
         106 150 1.0
         108 111 1.5
         108 141 1.0
         109 121 1.5
         109 126 1.0
         110 105 1.0
         111 112 1.0
         111 116 1.5
         112 115 1.5
         112 123 1.5
         113 79 1.0
         116 119 1.5
         116 145 1.0
         119 120 1.0
         119 124 1.5
         120 123 1.5
         120 131 1.5
         121 122 1.5
         122 53 1.5
         122 125 1.0
         127 128 1.5
         128 52 1.5
         128 151 1.0
         132 42 1.0
         132 135 1.5
         133 134 1.0
         133 137 1.5
         134 136 1.5
         134 141 1.5
         135 149 1.0
         137 139 1.5
         138 151 1.5
         139 140 1.0
         139 142 1.5
         140 141 1.5
         140 145 1.5
         142 143 1.5
         143 144 1.0
         143 146 1.5
         144 145 1.5
         147 148 1.5
         148 32 1.0
         149 150 1.5
         151 152 1.5
         152 153 1.0
         153 154 1.5
         155 61 1.0
         156 26 1.0
         157 36 1.0
         158 45 1.0
         159 69 1.0
         160 94 1.0
         161 91 1.0
         162 102 1.0
    End
End

Engine ADF
    Basis
        Type DZP
        Core Small
    End
    XC
        GGA BP86
        DISPERSION Grimme3
    End
    Symmetry C(S)
    Solvation
        Surf Delley
        Solv name=Methanol cav0=0.0 cav1=0.0067639
        Charged method=CONJ
        C-Mat POT
        SCF VAR ALL 
        CSMRSP
    End
    NumericalQuality Good
EndEngine
