%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                -15.62337400  -13.32466900  -14.09701700
 C                -16.70431800  -23.26567800  -18.73202800
 C                -21.53924800  -15.01715600  -18.50793200
 C                -20.74369100  -19.16892600  -20.43537500
 C                -16.92707700  -15.96418900  -19.15913400
 C                -25.87426000  -17.96406800  -15.25232200
 C                -16.70894400  -21.37962800  -17.02857200
 C                -17.94123100  -14.34607400  -13.82784200
 C                -20.87117000  -14.90022800  -16.08087500
 C                -21.60035100  -20.25565800  -18.31756900
 C                -16.51901800  -17.76829600  -17.42263200
 C                -23.84379500  -19.49482900  -15.56161600
 C                -14.75392900  -22.02536500  -17.69910200
 C                -17.82695300  -12.20068600  -13.57662500
 C                -21.41481100  -16.87414600  -16.77835500
 C                -19.53669600  -19.60395500  -18.25064300
 C                -17.80933500  -16.14735200  -16.79781100
 C                -25.78487700  -20.44682000  -15.66366100
 C                -14.82028600  -14.14930900  -13.07707200
 C                -17.32640000  -24.43971800  -17.95670200
 C                -22.99881200  -14.52413200  -18.56698900
 C                -20.52137500  -20.32163100  -21.43056200
 C                -15.60354800  -15.17877600  -19.22400100
 C                -25.91537700  -17.48132400  -13.78948700
 C                -15.15867600  -15.60632400  -13.08657300
 C                -20.94299800  -12.27251800   -9.91071800
 C                -14.55590100  -22.59772500  -12.70231400
 C                -23.32009600  -13.50371600  -17.51718100
 C                -21.44746100  -21.48058500  -21.23040700
 C                -14.39407400  -16.01289800  -18.93884600
 C                -24.65897100  -16.86846700  -13.24730800
 C                -24.22258600  -24.56050500  -13.47738000
 C                -18.48418100  -24.04334000  -17.09468700
 C                -15.04126800  -16.58748200  -14.04774500
 C                -15.46260300  -21.96823200  -13.51917400
 C                -13.80288600  -17.06807400  -19.61532900
 C                -22.75395800  -12.27294400  -17.21890800
 C                -23.61134000  -16.19534600  -13.83434400
 C                -20.32297700  -13.22053800  -10.68568400
 C                -23.69584300  -23.32153700  -13.74379000
 C                -19.62768300  -23.31446000  -17.34397300
 C                -22.82658300  -21.59972800  -21.29797300
 C                -16.09362500  -17.49379000  -12.37091700
 C                -13.97671200  -20.47745800  -12.95809800
 C                -12.69863900  -16.83577700  -17.78995400
 C                -24.21046100  -12.64330800  -15.68936500
 C                -23.19780300  -16.22952300  -11.69498200
 C                -22.37601000  -13.06613700  -11.39738500
 C                -22.91974800  -24.67830800  -15.26057500
 C                -19.66322700  -23.81190800  -15.22529700
 C                -22.09315900  -23.50984400  -20.65110600
 C                -15.33582200  -13.75377400  -15.57585900
 C                -20.48818400  -13.93378200  -18.93240900
 C                -22.06775000  -18.35912100  -20.65948100
 C                -17.12276200  -16.96242700  -20.35172100
 C                -25.35864100  -16.84514100  -16.21049900
 C                -17.72926100  -22.61566500  -19.72245900
 H                -15.29765100  -12.27752200  -14.01245400
 H                -15.88483100  -23.66445900  -19.34734000
 H                -21.45668200  -15.85913300  -19.20956900
 H                -19.90665000  -18.46429400  -20.55529500
 H                -17.75452300  -15.23923200  -19.21575000
 H                -26.91512100  -18.16581300  -15.53892800
 H                -15.88535700  -18.40860300  -18.02682700
 H                -17.69505100  -15.37940000  -14.06767900
 H                -17.78349300  -21.26240600  -16.89993700
 H                -20.63848500  -13.84166100  -16.05746700
 H                -23.06245600  -18.74618000  -15.47887700
 H                -22.61724200  -20.43591300  -18.65053500
 H                -13.98864700  -22.57718700  -18.24252700
 H                -17.40956500  -11.19610000  -13.53161100
 H                -21.76241400  -17.64086400  -17.47058300
 H                -18.60338700  -19.15791000  -18.60001300
 H                -18.37699000  -15.22051700  -16.86858600
 H                -26.86675000  -20.56925300  -15.66082900
 H                -16.08644000  -15.76707600  -11.16500000
 H                -12.81558400  -21.77491400  -11.76869400
 H                -13.84746700  -15.16354400  -17.02782300
 H                -17.84285000  -24.87042200  -15.22907300
 H                -24.91350500  -14.52804900  -16.43921300
 H                -22.96423800  -11.57697000  -10.03113600
 H                -23.91981000  -26.38892500  -14.54777400
 H                -19.99339000  -22.98665900  -20.67484000
 H                -24.92949900  -17.30412000  -11.17039600
 H                -14.60869100  -16.51323400  -15.03954100
 H                -19.29874100  -13.57612600  -10.64915800
 H                -16.35513400  -22.35817100  -14.00074700
 H                -21.96899200  -11.76399300  -17.77766100
 H                -23.53087800  -20.81852900  -21.58203800
 H                -14.10610600  -17.47477600  -20.57983300
 H                -23.44771100  -15.97071400  -14.87963400
 H                -23.84552300  -22.38411100  -13.21907700
 H                -19.96991400  -22.87813700  -18.27466900
 H                -16.62815100  -18.17071900  -11.70989300
 H                -13.42159700  -19.54725600  -12.86386800
 H                -11.97919300  -16.94321900  -16.97732600
 H                -24.86175000  -12.56488600  -14.81797300
 H                -22.72477800  -16.10010500  -10.72550700
 H                -23.29498100  -13.21690200  -11.95827700
 H                -22.38687100  -25.08540500  -16.11615600
 H                -19.95474500  -23.91524400  -14.18752600
 H                -22.00973500  -24.54925500  -20.33138200
 H                -13.76507900  -14.00753200  -13.34363600
 H                -23.12522600  -14.10210200  -19.57425700
 H                -20.66609000  -19.88143000  -22.42731100
 H                -15.55705900  -14.77253200  -20.24371400
 H                -26.71959600  -16.72975900  -13.75228200
 H                -17.65125900  -25.16503200  -18.71563100
 H                -14.97382900  -13.74415100  -12.06517000
 H                -16.56017900  -24.92521700  -17.33347600
 H                -23.65793100  -15.39575100  -18.45414200
 H                -19.48181100  -20.66623000  -21.33206400
 H                -15.65499200  -14.35294700  -18.50088700
 H                -26.22368600  -18.31301600  -13.13625400
 N                -16.09111300  -22.27068500  -17.84603600
 N                -17.06493800  -13.30985700  -13.81660100
 N                -21.24676600  -15.58096600  -17.18420900
 N                -20.64301000  -19.64216900  -19.04915100
 N                -17.09370000  -16.62224800  -17.85702500
 N                -25.17221800  -19.24073200  -15.45044200
 N                -15.78806600  -20.65842500  -16.41991800
 N                -16.86407100  -17.96932300  -16.16284700
 N                -19.15118200  -13.88114800  -13.56859700
 N                -20.81782200  -15.73591400  -15.05892500
 N                -21.09384700  -20.57934300  -17.13980800
 N                -23.67560400  -20.78660900  -15.79496600
 N                -14.55002900  -21.05847800  -16.83867200
 N                -19.08526700  -12.52445900  -13.41866300
 N                -21.15791500  -16.99176800  -15.49382900
 N                -19.78776600  -20.16872800  -17.09119200
 N                -17.68348900  -16.94640600  -15.76295300
 N                -24.90251200  -21.38834100  -15.87103800
 N                -15.63475800  -17.74793000  -13.59031600
 N                -15.08673200  -20.64927500  -13.66166700
 N                -12.74725700  -17.57341700  -18.88886400
 N                -23.31312900  -11.74847900  -16.07479700
 N                -22.70831300  -15.82022200  -12.85977600
 N                -21.23142000  -13.71114300  -11.59786300
 N                -22.88009500  -23.41528400  -14.85147700
 N                -20.33706900  -23.16783200  -16.16962900
 N                -23.21766900  -22.86964000  -20.93319500
 N                -15.83074900  -16.21172100  -12.04491500
 N                -13.62961100  -21.63658000  -12.36372900
 N                -13.67365400  -15.88823000  -17.77280400
 N                -18.53851900  -24.33698100  -15.74633100
 N                -24.24714500  -13.71664500  -16.52161200
 N                -22.23467400  -12.19303300  -10.38351700
 N                -23.72028200  -25.39549800  -14.45052600
 N                -21.00291900  -22.71363500  -20.81077800
 N                -24.37212100  -16.85817200  -11.89531700
 O                -16.27203000  -13.67847100  -16.38247600
 O                -17.73789200  -21.38331500  -19.82822600
 O                -19.38633100  -13.94715800  -18.32739400
 O                -22.51578500  -17.76754600  -19.64712200
 O                -17.78561000  -17.99798700  -20.10048600
 O                -24.38811700  -17.09307400  -16.94071000
 O                -14.14308300  -14.11238500  -15.77792400
 O                -20.84865900  -13.19200900  -19.86396500
 O                -22.50579800  -18.34651300  -21.82540700
 O                -16.64438000  -16.59324800  -21.43975200
 O                -25.98639500  -15.76012100  -16.08649900
 O                -18.45279800  -23.46380100  -20.31565300
 H                -14.49240600  -23.61950500  -12.33724800
 H                -24.89321300  -24.91267700  -12.69804000
 H                -20.58711200  -11.66335200   -9.08414900
 Cu               -21.96929400  -21.94559300  -15.91939000
 Cu               -20.91704300  -14.89985500  -13.21547500
 Cu               -16.01616300  -19.31306500  -14.88610100
 O                -17.96752700  -20.25127300  -14.16348900
 C                -18.20893700  -20.23766100  -12.75119500
 C                -18.84898000  -21.42866800  -12.11013700
 H                -17.34776800  -19.89443000  -12.17387800
 C                -18.95941500  -19.23102600  -13.49019200
 C                -20.04459800  -21.99050800  -12.58067500
 C                -18.25286800  -21.97107000  -10.96097900
 H                -18.53806400  -18.24258100  -13.65549600
 H                -19.93578400  -19.46567400  -13.90548600
 N                -20.16670645  -18.17882099  -12.12668886
 C                -20.63415300  -23.06340700  -11.90738100
 H                -20.52825400  -21.58574900  -13.47304300
 C                -18.84046000  -23.04495900  -10.28507900
 H                -17.32224200  -21.53658600  -10.58684200
 C                -19.53940345  -17.15330299  -11.26618886
 C                -21.21239045  -19.01082499  -11.66789786
 H                -20.50963345  -17.67391999  -12.94395386
 C                -20.03708400  -23.59324600  -10.75749800
 H                -21.57026700  -23.48432700  -12.27821300
 H                -18.36431600  -23.45226900   -9.38906300
 C                -18.98882245  -17.62674399   -9.91551886
 H                -20.24643045  -16.32926299  -11.06474886
 H                -18.71501145  -16.72192999  -11.85496786
 C                -22.32152545  -19.19153199  -12.51467786
 C                -21.16522945  -19.76709899  -10.47772086
 H                -20.50749300  -24.42827000  -10.23159800
 C                -18.31083845  -16.49259199   -9.15779386
 H                -19.84402145  -17.94381299   -9.29604986
 O                -18.12468345  -18.72535799  -10.15477086
 C                -23.37470545  -20.03484699  -12.16348386
 H                -22.36239445  -18.62313499  -13.44296786
 C                -22.22778045  -20.60176799  -10.12611886
 H                -20.27932945  -19.75472799   -9.85127086
 C                -19.09048445  -15.47266699   -8.59127286
 C                -16.91916745  -16.45182399   -8.98605886
 H                -17.87129445  -19.12025499   -9.30556686
 C                -23.34700645  -20.73840599  -10.95529586
 H                -24.23205045  -20.12188099  -12.83439486
 H                -22.16284445  -21.17414899   -9.19688386
 C                -18.49137345  -14.41767099   -7.89810386
 H                -20.17790245  -15.50222399   -8.69900086
 C                -16.31581845  -15.39336999   -8.29489786
 H                -16.30172645  -17.25976099   -9.38308986
 H                -24.17375245  -21.39469399  -10.67342286
 C                -17.09968445  -14.36930599   -7.75407086
 H                -19.11492845  -13.62768999   -7.47156986
 H                -15.22924445  -15.37577399   -8.17515086
 H                -16.63047845  -13.54315699   -7.21355086

B 173 178 F

