%nprocshared=12
%mem=20GB
#p opt freq=NoRaman genecp scf=xqc scrf=(solvent=tetrahydrofuran,smd) nosymm guess=always Int=(grid=UltraFine) empiricaldispersion=gd3 b3lyp

LCu1_Base

1 1
 C	-0.313657000	-3.441263000	-0.145753000
 C	 0.271494000	-3.966680000	 1.157101000
 O	 0.921898000	-3.023650000	 1.949228000
 H	-0.535078000	-4.486655000	 1.700770000
 H	 1.006957000	-4.738679000	 0.889469000
 C	-0.140409000	-2.126728000	-0.448919000
 C	 0.009778000	-0.908247000	-0.701594000
 C	-1.046962000	-4.333859000	-1.032238000
 C	-1.098317000	-5.727226000	-0.793075000
 C	-1.737028000	-3.810687000	-2.151766000
 C	-1.804619000	-6.562346000	-1.651331000
 C	-2.445799000	-4.650202000	-3.000313000
 C	-2.479472000	-6.028482000	-2.755042000
 H	-0.579173000	-6.163038000	 0.053197000
 H	-1.721749000	-2.740748000	-2.332791000
 H	-1.830371000	-7.631245000	-1.461891000
 H	-2.974809000	-4.234335000	-3.852758000
 H	-3.032124000	-6.685097000	-3.421155000
 Cu	 0.156489000	 0.927169000	-0.942575000
 N	-1.232503000	 2.443313000	-0.766794000
 N	 1.481445000	 2.294470000	-1.648086000
 C	-2.634304000	 2.203573000	-0.349321000
 C	-1.131818000	 3.656737000	-1.174087000
 C	 2.909241000	 1.963268000	-1.902901000
 C	 1.308458000	 3.544747000	-1.883772000
 C	-3.323514000	 3.565558000	-0.640500000
 O	-2.240085000	 4.413672000	-1.122400000
 C	 3.439671000	 3.260811000	-2.563687000
 O	 2.369540000	 4.228203000	-2.346108000
 H	-4.075640000	 3.511387000	-1.430723000
 H	-3.747384000	 4.036637000	 0.247967000
 H	 3.579806000	 3.162478000	-3.642966000
 H	 4.345533000	 3.655791000	-2.102858000
 H	 2.947274000	 1.122105000	-2.598060000
 H	-2.629886000	 1.997747000	 0.724448000
 C	 0.070821000	 4.400621000	-1.717415000
 C	-0.302469000	 4.979989000	-3.110133000
 C	 0.406552000	 5.555072000	-0.732382000
 H	-0.560992000	 4.177146000	-3.809139000
 H	 0.544316000	 5.539309000	-3.513839000
 H	-1.156589000	 5.653559000	-3.014656000
 H	 0.683914000	 5.159952000	 0.250696000
 H	-0.464381000	 6.204712000	-0.618619000
 H	 1.238286000	 6.145239000	-1.123539000
 C	-3.263776000	 1.027547000	-1.071734000
 C	-4.262709000	 0.280959000	-0.435420000
 C	-2.886981000	 0.688153000	-2.377791000
 C	-4.866935000	-0.797381000	-1.086335000
 C	-3.486265000	-0.392764000	-3.028168000
 C	-4.476156000	-1.140186000	-2.383183000
 H	-4.563109000	 0.538813000	 0.577044000
 H	-2.108169000	 1.257898000	-2.877129000
 H	-5.635989000	-1.372012000	-0.577228000
 H	-3.178062000	-0.652516000	-4.037594000
 H	-4.939208000	-1.984149000	-2.887007000
 C	 3.612077000	 1.586923000	-0.613505000
 C	 4.246357000	 0.347257000	-0.484932000
 C	 3.655725000	 2.491859000	 0.457066000
 C	 4.930261000	 0.022400000	 0.689881000
 C	 4.330742000	 2.165223000	 1.633206000
 C	 4.970928000	 0.927330000	 1.752008000
 H	 4.212475000	-0.362473000	-1.307922000
 H	 3.164241000	 3.458169000	 0.369907000
 H	 5.438331000	-0.934346000	 0.769488000
 H	 4.358006000	 2.875030000	 2.455655000
 H	 5.497503000	 0.670404000	 2.666715000
 H	 0.277212000	-2.389273000	 2.403268000
 N	-0.538310000	-1.218062000	 3.384165000
 C	-0.953501000	-1.962253000	 4.593461000
 H	-1.451003000	-1.307966000	 5.325766000
 H	-1.695853000	-2.700148000	 4.281462000
 C	-1.673436000	-0.707398000	 2.565373000
 H	-1.222406000	-0.368781000	 1.628002000
 C	 0.594347000	-0.272556000	 3.638343000
 H	 1.424839000	-0.922715000	 3.930160000
 C	-2.645150000	-1.838729000	 2.194837000
 H	-3.339510000	-2.074360000	 3.009208000
 H	-3.241798000	-1.532189000	 1.330610000
 H	-2.117533000	-2.757393000	 1.922392000
 C	-2.458692000	 0.470860000	 3.170037000
 H	-3.364356000	 0.654630000	 2.580297000
 H	-2.774391000	 0.257533000	 4.197487000
 H	-1.874182000	 1.394751000	 3.175876000
 C	 1.054768000	 0.433436000	 2.361275000
 H	 1.990679000	 0.962940000	 2.562659000
 H	 1.240740000	-0.283309000	 1.558281000
 H	 0.328504000	 1.172450000	 1.999992000
 C	 0.400085000	 0.737948000	 4.784576000
 H	 0.065504000	 0.259532000	 5.710632000
 H	 1.362873000	 1.218943000	 4.996379000
 H	-0.314182000	 1.526996000	 4.533858000
 C	 0.195447000	-2.713572000	 5.270911000
 H	 0.905072000	-2.044681000	 5.768010000
 H	-0.213277000	-3.385047000	 6.034830000
 H	 0.746113000	-3.315030000	 4.539710000

-C -N -O -H -S -F 0
6-31g(d)
****
-Cu 0
LANL2DZ
****

-Cu 0
LANL2DZ


