79
Coordinates from ORCA-job 014_Opt_OH+
  Fe  0.02241100618938     -0.00178061967981     -0.10606327222417
  O   0.04978244737695      0.00726035541842      1.66707757574825
  H   -0.83024768303569      0.01605713914267      2.06979060675638
  N   1.99243315456350      0.00552150985740     -0.35394081240995
  N   0.01752421105699      1.95862636693637     -0.47743530970675
  N   -1.94915790321437     -0.01131389667822     -0.34411002472603
  N   0.02352233022571     -1.97563635305796     -0.42044064497445
  C   2.83131497472476     -1.07948900772783     -0.27972006868739
  C   2.82699229692330      1.09560866028048     -0.31213827970359
  C   2.44148543070250     -2.41424367810012     -0.32735984342122
  C   1.11091289509636     -2.81217594061875     -0.42518290886637
  C   -1.06170039947057     -2.81757429239833     -0.44503295305025
  C   -2.39372185827705     -2.43328783564174     -0.33707161511635
  C   -2.78539808297397     -1.09973733174026     -0.25761655680810
  C   -2.78679073994531      1.07694441801795     -0.26471484525191
  C   -2.39711469681957      2.40651915409029     -0.38108704926637
  C   -1.07074702137101      2.79080521096388     -0.54057932957748
  C   1.09822644797145      2.80040453554807     -0.56108036213084
  C   2.43023153664493      2.42540212159611     -0.42552462384931
  C   4.18952297102355      0.69087531478165     -0.18996441059642
  C   4.19384353581440     -0.66554209735497     -0.19064272038129
  C   0.70459997875754     -4.17983504010550     -0.50206438733673
  C   -0.64994311189955     -4.18112166610738     -0.53603347339747
  C   -4.14058861229247     -0.68950881773540     -0.09320432130304
  C   -4.14062641802102      0.66743665504849     -0.09219256209425
  C   -0.67253628686773      4.14511798530058     -0.75318068817276
  C   0.68321116785177      4.15139464929501     -0.76767814492042
  H   5.04595768107644      1.35729921035501     -0.12171675341999
  H   5.05514661808125     -1.32744499882307     -0.14172578750364
  H   1.36675022045083     -5.04192181831091     -0.51954529404176
  H   -1.31482467176046     -5.03843874434737     -0.61026094438598
  H   -4.99418084663250     -1.35346445832560      0.01993096337385
  H   -4.99392100633870      1.33077970203038      0.02385301125548
  H   -1.35068635429741      4.98467164721255     -0.89005994665283
  H   1.34831869972361      4.99879348659305     -0.92117693810867
  C   3.45956536507536      3.48587564053947     -0.36284388134399
  C   3.50455815684797      4.36294452391834      0.72475851194260
  C   4.49124932660444      5.33460546529039      0.84056859073199
  C   5.45558130581190      5.45347574620132     -0.15631509172093
  C   5.42731745205265      4.60188690601226     -1.25740300437672
  C   4.43286114500992      3.63538138952475     -1.35382730751568
  C   -3.43287655403949      3.45820742894812     -0.30378041917904
  C   -3.48132555885465      4.32596922428712      0.78984816538479
  C   -4.40594670746651      3.60787119879783     -1.29387761502177
  C   -5.40163132315006      4.57269226799426     -1.19504774149106
  C   -5.42733278273942      5.42443240625155     -0.09376605561403
  C   -4.46766170675381      5.29795341466558      0.90722131865191
  C   -3.43901896366270     -3.47900378363639     -0.26433309889535
  C   -4.39388430602773     -3.63004440700504     -1.27311776896462
  C   -5.40846149344474     -4.57535184572646     -1.18005522034270
  C   -5.47510562682096     -5.40863207692373     -0.06695572598417
  C   -4.53295367096792     -5.28467034608583      0.95011021495412
  C   -3.53033584318019     -4.32801671269013      0.84186427352363
  C   3.48534347045666     -3.46183982855856     -0.26068369789969
  C   3.77181335736127     -4.26904082806351     -1.36290666672026
  C   4.72933677726258     -5.27454897593835     -1.29766709580928
  C   5.42561425330546     -5.48441396424996     -0.11092579747076
  C   5.16742458173280     -4.68713427539509      1.00040078257444
  C   4.20418698729947     -3.68773586732758      0.91481663688673
  F   3.97168614268171     -2.94465411504864      1.98039701912663
  F   6.33048555487534     -6.43447304541425     -0.04366604335853
  F   5.82913297916973     -4.88669698979702      2.12177419895796
  F   3.12787949774723     -4.08410046948034     -2.50089455055935
  F   4.98533491373786     -6.02807376038089     -2.34635677785798
  F   -4.35340706604302     -2.86536310253148     -2.34869886714482
  F   -6.30431383640344     -4.68554423852997     -2.13877131004441
  F   -6.42850584338571     -6.30797000614558      0.02049809197761
  F   -4.59560401785264     -6.06067917138876      2.01216832595986
  F   -2.66145093961751     -4.22613729413722      1.83036671341021
  F   -4.39614440715364      2.82607926480877     -2.35756028875820
  F   -6.31502982476349      4.68543552561488     -2.13713553425301
  F   -6.36036056052469      6.34472303231540     -0.00171715955830
  F   -4.49824746034198      6.08898790851210      1.95963806144843
  F   -2.58628631834667      4.22754163968008      1.75523941452046
  F   4.42656600955538      2.85297582121720     -2.41748396397401
  F   6.39300954954706      6.36866771328384     -0.06102693836458
  F   6.33857567363060      4.71637639367947     -2.20130528109137
  F   2.60630612126149      4.27253075334946      1.68779648849085
  F   4.51976949131825      6.13017830137267      1.88957479816481