%mem=38GB
%nprocshared=12
#p opt(loose,modredundant) INT=(Acc2E=11,Grid=Ultrafine) ub3lyp/def2svp nosymm EmpiricalDispersion=GD3 scrf=(SMD,solvent=Acetonitrile) cphf(conver=7)

Title

0 4
 C                -16.14171200  -12.64127200  -14.69444400
 C                -16.77860300  -23.38039600  -17.93673000
 C                -21.61710700  -15.14616500  -19.39283900
 C                -20.61201800  -19.56218300  -20.72640800
 C                -16.92327400  -16.05267500  -19.64303100
 C                -26.20827100  -17.64820300  -16.17983400
 C                -16.70581600  -21.10263200  -16.83073100
 C                -18.38888400  -13.81836200  -14.60868900
 C                -21.18229800  -14.70450400  -16.94159000
 C                -21.56853600  -20.20003200  -18.46980800
 C                -16.62593600  -17.59121000  -17.63640000
 C                -24.07982900  -19.03823400  -15.99336800
 C                -14.77567200  -22.01860200  -17.16450300
 C                -18.41717200  -11.72368400  -14.06139900
 C                -21.65407100  -16.75987100  -17.43772200
 C                -19.50011300  -19.55292600  -18.46254700
 C                -17.94481700  -15.89753700  -17.35128800
 C                -25.90427600  -20.15444200  -16.31115200
 C                -15.31528900  -13.32323300  -13.58879100
 C                -17.42918400  -24.26720800  -16.85189400
 C                -23.06889200  -14.70324600  -19.66117100
 C                -20.34232400  -20.89810300  -21.44340500
 C                -15.69760000  -15.12002000  -19.66073100
 C                -26.41319000  -16.98909500  -14.80309700
 C                -15.47368800  -14.81126700  -13.51690800
 C                -19.96808000  -14.03981900  -10.07430200
 C                -15.38694700  -21.55361700  -11.83238500
 C                -23.50787300  -13.54719600  -18.81376000
 C                -21.32560100  -21.97551600  -21.10410000
 C                -14.45113700  -15.75640900  -19.12908600
 C                -25.22308200  -16.29461900  -14.21233800
 C                -24.34799200  -23.49752200  -12.93132800
 C                -18.49040600  -23.53983000  -16.09382700
 C                -15.26999000  -15.81486700  -14.44266100
 C                -16.27692500  -20.82997900  -12.59085900
 C                -13.71195200  -16.85043500  -19.54964100
 C                -22.98307700  -12.27509700  -18.63498400
 C                -24.06242200  -15.79974100  -14.75840700
 C                -20.00621800  -14.64946700  -11.30425000
 C                -24.02539800  -22.32062200  -13.55827600
 C                -19.74774600  -23.11758500  -16.46227600
 C                -22.68654900  -22.09185800  -21.34028000
 C                -15.99499900  -16.78844100  -12.64686700
 C                -14.28137700  -20.17894400  -13.16793200
 C                -12.79552300  -16.17544300  -17.73129900
 C                -24.62080500  -12.43864800  -17.26160800
 C                -23.98333400  -15.33459900  -12.63601200
 C                -21.67288000  -13.24428400  -11.24208900
 C                -22.54383400  -23.79194700  -14.17500500
 C                -19.34620200  -22.23302800  -14.51023700
 C                -22.13001700  -23.81940100  -20.19926300
 C                -15.75281700  -13.13596200  -16.13136900
 C                -20.54491400  -14.09983100  -19.85423000
 C                -21.91918100  -18.81911000  -21.17412200
 C                -16.86698400  -17.22150300  -20.68584900
 C                -25.64235900  -16.63688100  -17.22581700
 C                -17.80464900  -22.97245400  -19.05184900
 H                -15.90812000  -11.56650700  -14.66851500
 H                -15.98956700  -23.96860300  -18.42907500
 H                -21.45099900  -16.07097400  -19.96397500
 H                -19.76898300  -18.88870800  -20.94705300
 H                -17.80674700  -15.44702700  -19.89984400
 H                -27.20215300  -17.95127900  -16.53476000
 H                -15.96286200  -18.31737800  -18.09319400
 H                -18.06637100  -14.80553100  -14.94387300
 H                -17.77544400  -20.90367900  -16.80787600
 H                -20.95632700  -13.64791500  -17.03191000
 H                -23.36864500  -18.23345000  -15.84544100
 H                -22.57567600  -20.43859400  -18.79666200
 H                -14.02461400  -22.73823600  -17.48703000
 H                -18.06748700  -10.71031100  -13.87020600
 H                -21.93233000  -17.61219200  -18.05730800
 H                -18.55307200  -19.17416000  -18.85422000
 H                -18.50873700  -14.99753000  -17.59867500
 H                -26.95929500  -20.36533400  -16.47893400
 H                -16.18417300  -15.01355400  -11.51003100
 H                -13.24881600  -21.45872700  -11.84500400
 H                -14.13769100  -14.52935500  -17.36198200
 H                -17.41565900  -23.03807600  -14.30585600
 H                -25.22397100  -14.42068000  -17.78802500
 H                -21.28511700  -12.54790500   -9.29215900
 H                -23.35315000  -25.38612300  -13.06426000
 H                -20.03796500  -23.35398000  -20.00417200
 H                -25.83012100  -16.22186300  -12.15948200
 H                -14.93315100  -15.72255900  -15.46926800
 H                -19.34288100  -15.40339600  -11.72153900
 H                -17.36238000  -20.82764100  -12.61574200
 H                -22.13613000  -11.84028400  -19.16497400
 H                -23.30968500  -21.38392600  -21.88589800
 H                -13.89621100  -17.45389100  -20.43796000
 H                -23.74927200  -15.81970300  -15.79229400
 H                -24.53595500  -21.36581300  -13.51514800
 H                -20.27977200  -23.31090900  -17.38811900
 H                -16.32126700  -17.53518500  -11.92750700
 H                -13.45242400  -19.66515400  -13.64936800
 H                -12.14577600  -16.05877800  -16.86310100
 H                -25.37757700  -12.24406100  -16.50071500
 H                -23.66384000  -15.00352000  -11.65435500
 H                -22.54862700  -12.65502900  -11.50381100
 H                -21.69570600  -24.27559700  -14.65124900
 H                -19.40447900  -21.64459000  -13.60393400
 H                -22.13511300  -24.76450500  -19.65480400
 H                -14.26715000  -13.07343200  -13.80448600
 H                -23.09768300  -14.43846200  -20.72788700
 H                -20.38084000  -20.67215200  -22.51824000
 H                -15.56309100  -14.82531900  -20.71103700
 H                -27.22135400  -16.25358100  -14.93979500
 H                -17.86416300  -25.12670100  -17.37665800
 H                -15.57128600  -12.88107900  -12.61345900
 H                -16.65902100  -24.63701100  -16.15786900
 H                -23.72777900  -15.56313800  -19.48438500
 H                -19.32863900  -21.23427600  -21.17911700
 H                -15.92959300  -14.22677400  -19.06161600
 H                -26.78593200  -17.74188200  -14.08884900
 N                -16.11655100  -22.21220900  -17.35082900
 N                -17.58673500  -12.73563600  -14.45660000
 N                -21.45013800  -15.52650100  -17.98124000
 N                -20.57978000  -19.74544600  -19.27344800
 N                -17.18213000  -16.53559700  -18.28198300
 N                -25.41894300  -18.88648700  -16.13534700
 N                -15.77872800  -20.30043300  -16.35013800
 N                -17.03202700  -17.58538500  -16.37928000
 N                -19.62721700  -13.46960400  -14.30866100
 N                -21.22441300  -15.40392300  -15.82403800
 N                -21.10215400  -20.28493500  -17.23522600
 N                -23.78753200  -20.32610100  -16.05039600
 N                -14.55189700  -20.87445100  -16.56311500
 N                -19.65147800  -12.14873100  -13.95937700
 N                -21.51904900  -16.71063900  -16.12912400
 N                -19.79439300  -19.87987700  -17.22739600
 N                -17.86023500  -16.51274600  -16.19507400
 N                -24.93695000  -21.03474700  -16.26397800
 N                -15.60549600  -17.03113300  -13.89038300
 N                -15.56845100  -19.98209800  -13.41389000
 N                -12.68324900  -17.10331600  -18.66924700
 N                -23.68178700  -11.59528900  -17.66226500
 N                -23.28949100  -15.22687000  -13.76424400
 N                -21.07980500  -14.14573300  -12.01285900
 N                -22.89345500  -22.51689500  -14.32452700
 N                -20.26251100  -22.31456600  -15.46373600
 N                -23.17785500  -23.24514300  -20.77081500
 N                -15.93964700  -15.46130400  -12.39010700
 N                -14.13563400  -21.12447000  -12.21583700
 N                -13.84854800  -15.34610100  -17.96104500
 N                -18.26904000  -22.96327900  -14.85552900
 N                -24.55470400  -13.62316000  -17.92307300
 N                -21.02640900  -13.16103600  -10.06288400
 N                -23.40052700  -24.40781400  -13.34137800
 N                -20.99475400  -23.08987000  -20.36576100
 N                -25.14494200  -15.97387300  -12.86983300
 O                -16.65661800  -13.25001900  -16.96973400
 O                -17.71355600  -21.83635900  -19.53593500
 O                -19.51212000  -14.00033500  -19.14572700
 O                -22.43757700  -18.06965500  -20.31042300
 O                -17.52903100  -18.24764400  -20.39247100
 O                -24.57862100  -16.92247600  -17.79994800
 O                -14.51336000  -13.31869100  -16.27965500
 O                -20.82945000  -13.48562300  -20.89724900
 O                -22.27714100  -19.01788700  -22.34994300
 O                -16.16249300  -17.01341500  -21.68999900
 O                -26.35001200  -15.60726400  -17.36479700
 O                -18.59570500  -23.90011400  -19.38285700
 H                -15.52977100  -22.31279600  -11.06754900
 H                -25.15090800  -23.75981500  -12.24752300
 H                -19.29711900  -14.15281600   -9.22674300
 Cu               -21.98873900  -21.27064500  -15.68515300
 Cu               -21.31540000  -14.59764700  -13.97293700
 Cu               -16.39243900  -18.80005600  -14.86829800
 O                -18.28162153  -19.40219502  -14.34780020
 C                -19.18640438  -18.38976523  -14.45591438
 H                -18.80365032  -17.39862053  -14.10142396
 H                -19.53650874  -18.21358361  -15.49050988
 C                -20.17915942  -19.09461241  -13.50808285
 C                -19.56764869  -19.57216418  -12.21277307
 H                -20.67137290  -19.93138672  -14.02805317
 N                -21.76964335  -17.49095466  -13.18043455
 C                -19.86137313  -20.84664751  -11.71008312
 C                -18.71414801  -18.73370783  -11.48060845
 C                -22.78121412  -17.82836037  -12.17872662
 H                -21.29159916  -16.61835554  -12.90772545
 H                -22.18882310  -17.25530118  -14.10714018
 C                -19.29643025  -21.28649118  -10.50803455
 H                -20.54734405  -21.49608798  -12.25991513
 C                -18.15287729  -19.16528873  -10.27724398
 H                -18.48735015  -17.73620071  -11.85946415
 C                -23.79420402  -18.71782295  -12.52048261
 C                -22.66563065  -17.31849376  -10.88470247
 C                -18.43810645  -20.44725952   -9.79047243
 H                -19.53140697  -22.28510070  -10.13060603
 H                -17.48500546  -18.50249587   -9.72085036
 C                -24.73902525  -19.07874550  -11.55610496
 H                -23.82780290  -19.13711719  -13.52322587
 C                -23.61004957  -17.68785032   -9.92485809
 H                -21.85134049  -16.63632811  -10.63704486
 H                -17.99548508  -20.78899557   -8.85114302
 C                -24.65176627  -18.56058437  -10.26050572
 H                -25.54229789  -19.76936235  -11.82161979
 H                -23.52996754  -17.28716725   -8.91192030
 H                -25.39334004  -18.84229011   -9.50928181

B 173 176 F

