%nprocshared=8 %mem=22000MB #p scrf=(solvent=water,SMD) opt=cartesian freq nosymm bp86/genecp empiricaldispersion=gd3 scf=xqc Title Card Required 1 3 C -0.01020700 0.39089000 -0.32444600 H 0.12370000 1.48078700 -0.30622500 C 1.13381700 -0.49390200 -0.06593800 H 2.11775000 -0.06485500 0.16805400 C -2.29930500 0.61717200 -0.96702900 H -2.51201500 0.45177400 -2.03794100 H -3.16952900 0.26057500 -0.39358600 H -2.14120900 1.69506700 -0.78530600 C 2.03727700 -2.70411500 -0.01460700 H 1.84038300 -3.38588200 0.83102300 H 2.09841700 -3.31939900 -0.93044300 H 3.00113600 -2.18931400 0.14788600 N -1.13717100 -0.17587500 -0.60883100 N 0.93095700 -1.77009400 -0.15512100 N -0.84966200 -4.06546300 -0.10454100 C -1.62522600 -4.64716000 0.83877300 C -1.18596800 -5.81683900 1.55246000 C -2.89367700 -4.06198300 1.18288000 C -1.96530600 -6.34350100 2.57646400 H -0.22088800 -6.26296900 1.28745400 C -3.66099900 -4.61001000 2.20460700 H -3.22077200 -3.18123400 0.62081300 C -3.20289900 -5.74548500 2.91247900 H -1.61801200 -7.22370700 3.12706800 H -4.62097900 -4.15448300 2.46797300 H -3.80778400 -6.16512200 3.72253500 Cu -0.98064100 -2.20916200 -0.78702200 N 0.19997700 -2.00454400 -2.97167000 H -0.57630600 -2.33990100 -3.55005200 H 0.95822600 -2.69083400 -2.92102600 C 0.60882300 -0.68842500 -3.24600600 C -0.30973700 0.24160200 -3.78577400 C 1.90258500 -0.24790600 -2.87887500 C 0.05556000 1.58512300 -3.93476300 H -1.31207600 -0.09999200 -4.06838400 C 2.25969100 1.10189900 -3.04285200 H 2.62189300 -0.96873200 -2.47347000 C 1.34048300 2.02749000 -3.56274700 H -0.67017900 2.29409600 -4.34865000 H 3.26581100 1.42608400 -2.75444300 H 1.62000500 3.07923500 -3.68293700 O -2.72692100 -2.35098700 -1.58241800 H 0.03650300 -4.57409300 -0.24539500 H -2.88951400 -3.31827100 -1.62642100 C 0.22673700 -0.11539200 2.92250300 C -0.16176400 1.21067500 2.66490900 C -1.50911000 1.51368200 2.39282800 C -2.45624300 0.47843600 2.36968100 C -2.05978500 -0.84958500 2.61381000 C -0.71620900 -1.16596600 2.90224400 H 1.27800500 -0.34226200 3.13705400 H 0.58845500 2.00916300 2.67998500 H -1.81286200 2.54703200 2.19399600 H -3.50749500 0.69939400 2.15434300 H -2.80396100 -1.65401500 2.59245600 C -0.28234000 -2.59217400 3.15335900 H -1.13848900 -3.24501800 3.39407600 H 0.20637500 -3.01090000 2.25531400 H 0.44898200 -2.65230500 3.97899700 -H -C -N -O 0 6-31g(d) **** -Cu 0 sdd **** Cu 0 sdd