%nprocshared=24
%mem=120GB
#p opt freq=(NoRaman) b3lyp genecp scf=xqc scrf=(smd,solvent=tetrahydrofuran) nosymm guess=always empiricaldispersion=gd3 integral=(grid=UltraFine)

Cu(I) homocoupled

1 1
 Cu	 3.637181000	 4.845138000	 10.104944000
 C	 3.627376000	 1.320652000	 10.124131000
 C	 5.059095000	 4.468650000	 7.031433000
 N	 3.565013000	 3.418446000	 8.696223000
 C	 5.036941000	 5.856697000	 6.841708000
 H	 4.084110000	 6.377734000	 6.803708000
 O	 3.745149000	 1.410022000	 7.746501000
 C	 7.481899000	 4.511734000	 6.903862000
 H	 8.431167000	 3.984189000	 6.923196000
 C	 7.454014000	 5.897881000	 6.723202000
 H	 8.381756000	 6.448726000	 6.596528000
 C	 6.229097000	 6.569905000	 6.691487000
 H	 6.200417000	 7.644532000	 6.534219000
 C	 3.756322000	 3.724627000	 7.243920000
 H	 2.930037000	 4.347184000	 6.911429000
 C	 6.291189000	 3.802150000	 7.066609000
 H	 6.325817000	 2.726766000	 7.221782000
 C	 3.645960000	 2.323045000	 6.609189000
 H	 2.673773000	 2.152487000	 6.142495000
 H	 4.446342000	 2.078019000	 5.912023000
 C	 3.634000000	 2.140892000	 8.855704000
 C	 2.382439000	 0.390295000	 10.100256000
 H	 2.397066000	-0.265483000	 10.973215000
 H	 2.406662000	-0.224312000	 9.197745000
 H	 1.458135000	 0.975690000	 10.105166000
 N	 4.742658000	 6.256870000	 11.042047000
 O	 5.737438000	 8.240147000	 11.278887000
 C	 6.626049000	 4.714332000	 11.732075000
 C	 7.090584000	 4.390026000	 10.451455000
 H	 6.908835000	 5.067403000	 9.621116000
 C	 7.784268000	 3.197767000	 10.239276000
 H	 8.141879000	 2.954546000	 9.243803000
 C	 8.020342000	 2.321886000	 11.303977000
 H	 8.561896000	 1.395199000	 11.136070000
 C	 7.557470000	 2.641138000	 12.582917000
 H	 7.737752000	 1.965350000	 13.414085000
 C	 6.862923000	 3.833890000	 12.794823000
 H	 6.504157000	 4.084970000	 13.790263000
 C	 5.888413000	 6.005856000	 11.975755000
 H	 5.468885000	 6.001410000	 12.987398000
 C	 6.721832000	 7.280855000	 11.782597000
 H	 7.144017000	 7.681130000	 12.702944000
 H	 7.496203000	 7.173055000	 11.017142000
 C	 4.719971000	 7.524518000	 10.797775000
 C	 3.014009000	 9.259711000	 11.194692000
 H	 2.283814000	 9.922337000	 10.725809000
 H	 3.782385000	 9.868109000	 11.676317000
 H	 2.506893000	 8.654791000	 11.952707000
 C	 3.664881000	 8.356161000	 10.110686000
 C	 2.068401000	 4.458907000	 13.121149000
 N	 3.643052000	 3.436498000	 11.519616000
 C	 2.027268000	 5.859569000	 13.154501000
 H	 2.957378000	 6.419717000	 13.117592000
 O	 3.449787000	 1.445234000	 12.500386000
 C	-0.353737000	 4.415003000	 13.265458000
 H	-1.279138000	 3.848122000	 13.311516000
 C	-0.387031000	 5.812329000	 13.289079000
 H	-1.337784000	 6.333113000	 13.359015000
 C	 0.807410000	 6.535348000	 13.231978000
 H	 0.791417000	 7.621524000	 13.261634000
 C	 3.406681000	 3.763056000	 12.962428000
 H	 4.197995000	 4.428394000	 13.297585000
 C	 0.865875000	 3.742065000	 13.171101000
 H	 0.872667000	 2.656181000	 13.131018000
 C	 3.565076000	 2.380352000	 13.619826000
 H	 4.558771000	 2.243063000	 14.051810000
 H	 2.797497000	 2.127932000	 14.350112000
 C	 3.578588000	 2.156868000	 11.379712000
 C	 4.930321000	 0.472531000	 10.160630000
 H	 4.949067000	-0.207858000	 9.306686000
 H	 4.954970000	-0.115862000	 11.080880000
 H	 5.814199000	 1.115885000	 10.128557000
 N	 2.547078000	 6.276288000	 9.182842000
 O	 1.575147000	 8.273785000	 8.967774000
 C	 0.642936000	 4.761092000	 8.475022000
 C	 0.270826000	 4.359776000	 9.763137000
 H	 0.523200000	 4.981208000	 10.617996000
 C	-0.417726000	 3.159733000	 9.949304000
 H	-0.702032000	 2.853897000	 10.950598000
 C	-0.742493000	 2.355812000	 8.852014000
 H	-1.276720000	 1.421792000	 9.001787000
 C	-0.380826000	 2.757947000	 7.563980000
 H	-0.634313000	 2.141334000	 6.706208000
 C	 0.307987000	 3.958211000	 7.377671000
 H	 0.590143000	 4.272241000	 6.375321000
 C	 1.392389000	 6.049437000	 8.254783000
 H	 1.811020000	 6.057645000	 7.242879000
 C	 0.572167000	 7.327414000	 8.475125000
 H	 0.133615000	 7.739604000	 7.567789000
 H	-0.186067000	 7.215819000	 9.256451000
 C	 2.588997000	 7.542181000	 9.433747000
 C	 4.340308000	 9.228467000	 9.015365000
 H	 5.083691000	 9.881348000	 9.477352000
 H	 3.587632000	 9.847140000	 8.521889000
 H	 4.835695000	 8.599626000	 8.269311000

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

-Cu 0
LANL2DZ


