%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 Card Required

0 4
 C                -16.23834900  -12.62649700  -14.50865500
 C                -16.74134000  -23.27437100  -18.07877300
 C                -21.61896100  -15.28181900  -19.43963400
 C                -20.56926600  -19.48807400  -20.80702200
 C                -16.84798800  -15.99698800  -19.44149500
 C                -26.20024100  -17.62163900  -16.18254600
 C                -16.82911600  -21.12114400  -16.73475100
 C                -18.55424000  -13.65262500  -14.58604100
 C                -21.28846800  -14.64817100  -17.02241400
 C                -21.57721200  -20.30072700  -18.62699800
 C                -16.69503000  -17.56091700  -17.44554200
 C                -24.09392100  -19.03116500  -15.98763100
 C                -14.84226400  -21.84504500  -17.19502400
 C                -18.48902000  -11.54839600  -14.08306400
 C                -21.66955400  -16.75041300  -17.36933800
 C                -19.56354400  -19.51142600  -18.49244000
 C                -18.06806900  -15.90162300  -17.23499100
 C                -25.91650900  -20.12573200  -16.38399400
 C                -15.53123200  -13.35664300  -13.35247300
 C                -17.40969100  -24.27939800  -17.11937700
 C                -23.05349200  -14.84316600  -19.78948700
 C                -20.23024200  -20.76290800  -21.60147700
 C                -15.57605600  -15.13201200  -19.38785000
 C                -26.40524900  -16.95981200  -14.80675300
 C                -15.77572000  -14.83321200  -13.29482800
 C                -20.31896500  -13.44149400  -10.14570600
 C                -14.63812300  -21.77385100  -12.44018200
 C                -23.49276500  -13.60851600  -19.06305300
 C                -21.18752100  -21.88974000  -21.36128500
 C                -14.38717000  -15.83016200  -18.80282000
 C                -25.20451500  -16.28100000  -14.21863200
 C                -24.35880500  -22.96726100  -12.65518400
 C                -18.56814700  -23.68796200  -16.38010700
 C                -15.61055500  -15.84159000  -14.22109500
 C                -15.71632700  -21.23513400  -13.09898700
 C                -13.67966600  -16.95904000  -19.18530600
 C                -22.99384200  -12.31453500  -19.06290200
 C                -24.15760600  -15.58277200  -14.77488200
 C                -20.21478400  -14.08987100  -11.35167000
 C                -23.97116500  -21.94390000  -13.48298900
 C                -19.77390000  -23.17239200  -16.80380900
 C                -22.53977100  -22.03227900  -21.63094400
 C                -16.38195300  -16.78896200  -12.42565300
 C                -14.20552300  -19.67048900  -12.97726900
 C                -12.80556900  -16.30467000  -17.33725000
 C                -24.58200000  -12.33687800  -17.62428200
 C                -23.85777400  -15.52113600  -12.61726400
 C                -22.04224200  -12.90247900  -11.42692500
 C                -22.79007700  -23.68712400  -14.03864300
 C                -19.64565700  -22.77139400  -14.66563200
 C                -21.94965600  -23.80819100  -20.58373000
 C                -15.79532200  -13.16005800  -15.91482200
 C                -20.51300000  -14.28738800  -19.93939200
 C                -21.88874700  -18.77023700  -21.26235900
 C                -16.79822800  -17.15870900  -20.49458000
 C                -25.60855800  -16.61982900  -17.22713900
 C                -17.72270800  -22.82425500  -19.21344700
 H                -15.93290900  -11.57111000  -14.46627700
 H                -15.89657400  -23.77927200  -18.57114200
 H                -21.45256100  -16.24802300  -19.93623800
 H                -19.74597500  -18.77154100  -20.95570600
 H                -17.68889400  -15.34699400  -19.73223200
 H                -27.19659500  -17.90986100  -16.54496000
 H                -15.98008800  -18.26106800  -17.86306600
 H                -18.26966200  -14.66657000  -14.86304700
 H                -17.90688200  -21.00077900  -16.65869100
 H                -21.10389200  -13.59209200  -17.18585900
 H                -23.39020800  -18.22308100  -15.81340800
 H                -22.54906600  -20.59164800  -19.01264000
 H                -14.04671500  -22.47026300  -17.59772700
 H                -18.08889900  -10.55498200  -13.88587000
 H                -21.90168700  -17.65952900  -17.92170700
 H                -18.62425200  -19.06148700  -18.82655200
 H                -18.64332100  -15.01862000  -17.51141600
 H                -26.96965500  -20.32636500  -16.57429100
 H                -16.49080600  -15.01191000  -11.28602100
 H                -12.77937500  -20.83180800  -11.94534400
 H                -14.09625700  -14.59543600  -17.04682900
 H                -17.74360600  -23.63173300  -14.40719600
 H                -25.15719400  -14.38248200  -17.87938600
 H                -21.84677600  -12.09834200   -9.48847600
 H                -23.64235900  -24.98351200  -12.61639300
 H                -19.86935500  -23.28450100  -20.33557000
 H                -25.57053500  -16.64230100  -12.14040400
 H                -15.25475000  -15.76894800  -15.24275400
 H                -19.43774100  -14.76101100  -11.71000100
 H                -16.68226100  -21.65358800  -13.36667700
 H                -22.17222700  -11.93536300  -19.67038100
 H                -23.17549800  -21.31189600  -22.14457100
 H                -13.85311200  -17.56243100  -20.07551100
 H                -23.95183500  -15.38338100  -15.81821400
 H                -24.33895100  -20.92496700  -13.53072100
 H                -20.18455100  -23.14812700  -17.80754600
 H                -16.74853200  -17.52065400  -11.70876100
 H                -13.67570900  -18.72687200  -13.08326500
 H                -12.18448300  -16.20628800  -16.44618100
 H                -25.31827700  -12.06173800  -16.86805500
 H                -23.43968500  -15.35738700  -11.62891200
 H                -22.97029300  -12.44015100  -11.75510700
 H                -22.08475200  -24.35092000  -14.53013600
 H                -19.85532100  -22.43698100  -13.65678300
 H                -21.93612600  -24.78324100  -20.09495400
 H                -14.45940900  -13.16515000  -13.50125800
 H                -23.04475700  -14.66614500  -20.87434900
 H                -20.24668200  -20.46486000  -22.65924300
 H                -15.37573000  -14.84311600  -20.42925000
 H                -27.19525400  -16.20776500  -14.95957200
 H                -17.74326900  -25.12162400  -17.73844100
 H                -15.81982800  -12.90364800  -12.39138100
 H                -16.66767000  -24.65523900  -16.39834600
 H                -23.73035200  -15.67756700  -19.56370500
 H                -19.21396800  -21.08236500  -21.32850800
 H                -15.79126700  -14.23033700  -18.79654500
 H                -26.79784100  -17.69922000  -14.09150300
 N                -16.16905400  -22.13078800  -17.36460600
 N                -17.69749200  -12.62317700  -14.37945700
 N                -21.50024500  -15.55534100  -18.00140900
 N                -20.58400900  -19.75190100  -19.36455900
 N                -17.20504400  -16.49309300  -18.10638800
 N                -25.43137700  -18.87016800  -16.13728400
 N                -15.95096000  -20.29337900  -16.20961600
 N                -17.21979800  -17.60824800  -16.23420600
 N                -19.78762500  -13.21396200  -14.40796200
 N                -21.32839800  -15.26192600  -15.85626800
 N                -21.16943100  -20.38967000  -17.37246000
 N                -23.80317000  -20.31403100  -16.09910800
 N                -14.69104300  -20.74393700  -16.49900600
 N                -19.75357500  -11.88639200  -14.08866700
 N                -21.56327000  -16.59800700  -16.06624400
 N                -19.89870200  -19.88873500  -17.28127300
 N                -18.08781700  -16.55678900  -16.09681500
 N                -24.95150900  -21.01025900  -16.35888500
 N                -16.00165700  -17.04220300  -13.67076400
 N                -15.42810000  -19.92741200  -13.41857300
 N                -12.69765400  -17.24594000  -18.26241200
 N                -23.67800600  -11.53180800  -18.16018100
 N                -23.32228000  -15.13258400  -13.77040300
 N                -21.30004000  -13.74583900  -12.13210300
 N                -22.98590300  -22.40557800  -14.33329500
 N                -20.42808400  -22.60935400  -15.72492600
 N                -23.00419700  -23.23278000  -21.14136700
 N                -16.27324200  -15.46637400  -12.17002800
 N                -13.70011900  -20.76592200  -12.37341900
 N                -13.81180900  -15.43403700  -17.61644900
 N                -18.52167600  -23.41576800  -15.02621700
 N                -24.50720900  -13.59572100  -18.13058200
 N                -21.47639600  -12.70125500  -10.22048600
 N                -23.59952300  -24.05347300  -13.02822500
 N                -20.83541300  -23.03620700  -20.68514900
 N                -24.98753600  -16.21214500  -12.85485200
 O                -16.66299400  -13.27257700  -16.79244700
 O                -17.69462200  -21.64085800  -19.57242500
 O                -19.50702000  -14.14198100  -19.19883100
 O                -22.48789400  -18.12290100  -20.36993600
 O                -17.53535400  -18.14473600  -20.25120900
 O                -24.59719800  -16.96096500  -17.85871100
 O                -14.56185700  -13.41129300  -15.98964700
 O                -20.73619600  -13.77363600  -21.04943600
 O                -22.16893400  -18.87648000  -22.47143900
 O                -16.07131200  -16.96056300  -21.48536100
 O                -26.24469400  -15.53633000  -17.29803500
 O                -18.44817100  -23.76098900  -19.65437300
 H                -14.46010200  -22.75817300  -12.01442900
 H                -25.09126000  -23.01618000  -11.85372800
 H                -19.68612100  -13.44349000   -9.26199800
 Cu               -22.06567400  -21.38587000  -15.84688800
 Cu               -21.50068100  -14.28362300  -14.08583200
 Cu               -16.55185300  -18.82732100  -14.70566400
 O                -18.20612382  -19.99939186  -14.19798499
 C                -19.40871282  -19.65216586  -13.64264599
 C                -19.57727282  -20.29788186  -12.25917699
 H                -20.28032882  -19.97987186  -14.26841299
 C                -19.11572796  -18.13914123  -13.69689959
 C                -20.72090382  -21.01695586  -11.89720799
 C                -18.53413982  -20.18297186  -11.32364599
 H                -18.66902018  -17.89147634  -14.66543289
 H                -18.41288778  -17.86855864  -12.90206618
 N                -20.68521871  -16.83096164  -13.29228572
 C                -20.83963282  -21.59536686  -10.62716899
 H                -21.53491782  -21.11967586  -12.61572299
 C                -18.64733082  -20.74996586  -10.05206999
 H                -17.62302082  -19.65705786  -11.61858899
 C                -21.47464346  -17.02607704  -12.07584648
 H                -20.24591930  -15.90657277  -13.21285830
 H                -21.28063013  -16.74656537  -14.14697451
 C                -19.80495182  -21.45805486   -9.69665099
 H                -21.74614382  -22.14930086  -10.36756499
 H                -17.82922782  -20.64555386   -9.33336399
 C                -22.80911184  -17.39689912  -12.18028092
 C                -20.86637130  -16.81600936  -10.83705765
 H                -19.89627982  -21.90086486   -8.70102699
 C                -23.56388588  -17.55248256  -11.01416736
 H                -23.25289230  -17.55580186  -13.16191788
 C                -21.62436802  -16.98230749   -9.67708312
 H                -19.81687099  -16.52006653  -10.78147186
 C                -22.97412363  -17.34926069   -9.76436583
 H                -24.61684052  -17.83279162  -11.08771865
 H                -21.15882846  -16.82341312   -8.70180840
 H                -23.56540996  -17.47503717   -8.85427173

B 173 178 F

