51 Coordinates from ORCA-job 021_Opt_O Fe 0.00050462917593 0.00686706972205 -0.03056597296391 O 0.00010111947416 0.00646394831370 1.58821882581993 N 1.94440606900535 -0.00665519003252 -0.29033435305350 N 0.11109306351912 1.94853695840398 -0.28598332197910 N -1.94053573866662 0.05503031968702 -0.27725592600609 N -0.06870331930761 -1.93270902942926 -0.27729494370892 N 0.02263020602983 0.03208999176083 -2.08470889465423 C 2.29047208523589 0.51196801114972 -1.47890095232173 C 3.61097535206238 0.57374651342522 -1.88609217712129 H 3.86630964663515 0.99348301284853 -2.86070886421985 C 4.58964230097941 0.08546901845208 -1.02296079252939 H 5.64245548982985 0.11698265025283 -1.31648805303671 C 4.21398352541427 -0.44339138285956 0.20675703916492 H 4.95234880646961 -0.83188836400400 0.91080780379501 C 2.86719843754637 -0.47755744049631 0.54285681138188 H 2.50880217454047 -0.87998311762898 1.49143359701414 C -2.35854551141588 0.20325400049365 -1.54358316101495 C -3.71042253534319 0.16935126929001 -1.85850238477770 H -4.02370489536162 0.27931526229185 -2.89881340893647 C -4.63833224967917 0.00537408954904 -0.83884014071390 H -5.70762211113987 -0.01959162982194 -1.06652110450228 C -4.18649480751036 -0.13017176250697 0.47009923448719 H -4.87781375025990 -0.26182799904683 1.30494247345160 C -2.82286687076757 -0.11021919673443 0.71117972431398 H -2.40650135234205 -0.22762711908110 1.71255871176506 C 0.64813177214219 2.26344411974874 -1.47528833188985 C 0.79672605147894 3.57822607720331 -1.87853520972277 H 1.22885665604985 3.80826563053103 -2.85405642766795 C 0.37994614454190 4.58479288229813 -1.01008989469768 H 0.48379106272186 5.63409806471703 -1.29958989994312 C -0.16772305749733 4.24106839833924 0.22060404780918 H -0.50236985000380 5.00137344478621 0.92892659797334 C -0.29272848242043 2.89844911289167 0.55189231073068 H -0.71458400067219 2.56552984061679 1.50130747266124 C 0.05033442269845 -2.35710976674655 -1.54441620543050 C -0.06477698799770 -3.70413915475503 -1.86096378509673 H 0.02280640026561 -4.02174829897567 -2.90210858828217 C -0.28067793651080 -4.62206260333728 -0.84202065534600 H -0.37142003106394 -5.68742945988843 -1.07078833970790 C -0.38467364501215 -4.16464189935944 0.46790488059926 H -0.55556390657183 -4.84804554865048 1.30207393145997 C -0.28276931552073 -2.80509370383821 0.71064206283552 H -0.37111047608825 -2.38425918551047 1.71318809458049 C 1.10205163708309 1.04515499063615 -2.23500553287594 H 1.34014307529436 1.27064672714296 -3.28341347265170 C -1.30034726060025 0.47552178129815 -2.56412184565641 H -1.26860426195213 1.55915044090487 -2.75463708906392 H -1.54405235636942 0.00212030384829 -3.52542191535433 C 0.38176053911850 -1.31614714235091 -2.56527387988657 H 1.46456234245675 -1.35140157572854 -2.76069550773349 H -0.11017480403121 -1.53118576906063 -3.52424487355955