56 Coordinates from ORCA-job 008_Opt_OH+ Fe 0.00411283667039 -0.01009543103841 -0.00050697904472 O 0.00041908062028 -0.07218042168897 1.78234955746350 H 0.36978588836201 0.66132425499823 2.28326097036132 N 2.07825338021434 0.00134741007685 0.11470700243451 N -0.25658622944818 2.08957078147046 0.18256974930249 N -2.10127944662309 -0.06976178655193 -0.04485976171617 N 0.16598078420380 -2.16487797702489 0.03740972409997 S 0.21751738479713 -0.00431579381861 -2.17372198051506 C -1.57309714550312 2.17298383270992 0.85510289053653 C -2.57488108478484 1.33087432244273 0.13405994186075 C -2.54420368326057 -0.88053888108434 1.12590203566480 C -2.08924981424598 -2.32566270536547 1.16312765276548 C -0.60419924031810 -2.63155983757611 1.21942551146535 C 1.61871352547578 -2.43642293588052 0.20567341009138 C 2.36911011989076 -1.28515150594853 0.79757243493201 C 2.64868657521267 1.07363843950963 0.97341871501083 C 2.18817710935618 2.48082147684343 0.68569738751360 C 0.74887289987373 2.75004115445442 1.04669658428716 C -0.31408327794345 2.83257331568614 -1.09157971683028 C -2.75071082861985 -0.57321800242606 -1.26892313344604 C -0.25701231596331 -2.96824927294638 -1.12564120583480 C 2.73820745159684 0.11266169275641 -1.21796482752380 C 1.94254360612315 -0.46605049137511 -2.35322067104510 H -1.90919337716274 3.22354139449359 0.87419621142362 H -1.45246137683814 1.84150466988120 1.89239955100360 H -2.78114462968844 1.74522643759648 -0.85988365939318 H -3.52959028943254 1.32510590792209 0.68244037852794 H -3.64788413551313 -0.87046563729147 1.10706620043234 H -2.21867817604209 -0.35398182023392 2.02957106232323 H -2.51845307645368 -2.74346249156205 2.08953533268599 H -2.57201402359579 -2.89750507199394 0.35615147831192 H -0.14921320843810 -2.19848777959656 2.11593746532678 H -0.47567123812554 -3.72692477653329 1.27284047082457 H 1.75006942325052 -3.32259671589258 0.84771314349055 H 2.02798626592280 -2.69942859861895 -0.77523318756680 H 3.45245648082380 -1.48449458906967 0.74438633621540 H 2.09944348988279 -1.15886832721754 1.85143574605195 H 3.74572802307931 1.01059199527546 0.87121164508097 H 2.41689362499973 0.82376216678571 2.01756922594475 H 2.41312917182610 2.79466896082771 -0.34546970014362 H 2.79975833717246 3.13918569256300 1.32263187277170 H 0.56296124869115 2.45141476400595 2.08950466952045 H 0.54872812436674 3.83431737290793 1.00821562912135 H -0.60116416754691 3.87719211768137 -0.87835037979226 H -1.04543237856195 2.39160184257946 -1.77633284064548 H 0.66363268880500 2.81370979665304 -1.58379344607960 H -3.84488781698252 -0.50424858647842 -1.14469374015784 H -2.48285060488516 -1.61436441594646 -1.46026363768513 H -2.45042719155280 0.03430942414313 -2.13183278187838 H 0.04331513981962 -4.01637187190076 -0.95369033069337 H 0.21476531392786 -2.60169343802527 -2.04350333849907 H -1.34090897692201 -2.94367559218749 -1.26082384070091 H 3.73805434106641 -0.34916033453583 -1.15123476797702 H 2.88329645382826 1.18079658847260 -1.41249742860808 H 2.30024313481698 -0.04237750076475 -3.30460212529800 H 2.03091635227400 -1.55875107481776 -2.43973475725871