55 Coordinates from ORCA-job 006_Opt_O Fe -0.00844443288989 0.00432531902955 0.02773552452539 O -0.00275767342364 0.00026396906619 1.65582321300727 N 2.08459251646392 0.00911619673418 0.15329380424305 N 0.20282634843564 2.12922915205750 0.02169868648522 N -2.14040767848124 0.09090651771686 0.03359684372627 N -0.29924031614982 -2.07005385262356 0.15836194724036 N -0.03252885006115 0.01865460285228 -1.93599961423475 C 2.78189417529846 0.04037920172852 -1.14086460159222 C -2.54124214574304 0.93654895315420 1.18247392521397 C -2.06564958615046 2.37429793083978 1.13488184533078 C -0.57508472489476 2.64484824168980 1.17318333556212 C -0.17255387233746 2.85604073899322 -1.20095449301761 C 2.62664923073713 -1.10277183413537 0.96125733802270 C 2.15831522135474 -2.48119409089004 0.56384209784444 C 0.72973022018368 -2.75509476332532 0.96660459846151 C -1.57443630495492 -2.15525172086820 0.90121610923246 C -2.61538542004871 -1.30008178401844 0.25205550838411 C 2.34637135087080 1.26123861419106 0.89327298238161 C 1.64582232035652 2.41010231511189 0.24019715055335 C -0.42927951143153 -2.76119822774657 -1.13338355825795 C -2.80963615988813 0.56556148034845 -1.18764381718958 H 3.86204194079793 0.20155371412734 -0.97117768478512 H 2.64496971344629 -0.90923673449122 -1.67044419958871 H 2.39656332715540 0.84435568308975 -1.77694489224628 H 0.37747995506403 2.44709013430722 -2.05669101874116 H -1.24207614214281 2.76690267325296 -1.40776587005282 H 0.07357149852545 3.92584132258404 -1.07541556128746 H -1.17756832911258 -2.27189659438331 -1.76540379714802 H 0.52806959921865 -2.75292280140793 -1.66589851356597 H -0.73134967091262 -3.80987551899971 -0.95952679027690 H -3.90256331173766 0.46236362786425 -1.06510174836229 H -2.58141020060653 1.61658301716814 -1.38197247889160 H -2.47308995215972 -0.02628064372286 -2.04653806942492 H -3.64615405606639 0.93688802719863 1.22068233482373 H -2.17130158156332 0.44927730945599 2.09286352907546 H -2.48138369955782 2.85782825399017 2.03543428628849 H -2.53349128897362 2.90948928736548 0.29451161622775 H -0.42135648523892 3.73892563894508 1.21030907384146 H -0.13665305312058 2.21102668669142 2.08034540882889 H 1.75810352155384 3.31876300303394 0.85397624223566 H 2.10177961451197 2.63057242807082 -0.73278037302701 H 3.43334870617150 1.45267375730941 0.92735155790390 H 1.98774977809556 1.11770884925777 1.91899247911072 H 3.72848697051848 -1.04174923021566 0.91087627447085 H 2.32943813718428 -0.92031951219825 2.00257417248736 H 2.78666438398092 -3.20078747900817 1.11221182417672 H 2.33718455299240 -2.69140768645017 -0.50274389307865 H 0.51920738417350 -3.83825524304633 0.92052261965279 H 0.59088506914440 -2.43149191294818 2.00686920767621 H -1.91687944795435 -3.20465577642052 0.93445928866002 H -1.37935239227516 -1.82359583897729 1.92694472480923 H -3.53242281371749 -1.28882532401029 0.86304703599266 H -2.89369341665430 -1.71783293512133 -0.72316052008347 N 0.43479330075214 -0.49802703344965 -2.89255614570335 N 0.87341304394736 -0.98210273051849 -3.84690684691590