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

LCu2_FIP_R1

0 2
 Cu	-0.049522000	 6.632724000	 7.368435000
 N	 1.274105000	 5.593786000	 6.220798000
 C	 1.561609000	 5.947370000	 4.813828000
 H	 1.847932000	 6.994479000	 4.735342000
 O	 2.674524000	 3.988985000	 5.527602000
 O	 0.527657000	 3.077758000	 9.628223000
 N	-0.142470000	 4.950722000	 8.593203000
 C	 2.687113000	 4.970305000	 4.433701000
 H	 2.521042000	 4.428316000	 3.502447000
 H	 3.677960000	 5.432410000	 4.426876000
 C	 1.891216000	 4.499633000	 6.483285000
 O	 0.583927000	 8.333460000	 6.595018000
 C	 1.855549000	 3.709689000	 7.752067000
 C	 0.686700000	 3.974404000	 8.648808000
 C	-0.618491000	 3.526885000	 10.430229000
 H	-0.253337000	 3.716686000	 11.441575000
 H	-1.345486000	 2.713105000	 10.443740000
 F	 1.466764000	 10.886620000	 6.038567000
 C	-1.109180000	 4.793954000	 9.697926000
 H	-2.115342000	 4.689551000	 9.284586000
 F	 2.248736000	 9.395498000	 4.661055000
 F	 3.546666000	 10.257315000	 6.179859000
 F	 3.367374000	 9.310986000	 8.660033000
 F	 1.651106000	 8.075914000	 9.170062000
 F	 1.373490000	 10.183862000	 8.705340000
 C	 1.870225000	 8.676038000	 6.883628000
 H	 2.620640000	 7.876524000	 6.720456000
 C	 2.287545000	 9.820214000	 5.945735000
 C	 2.067677000	 9.083995000	 8.358854000
 C	-1.649932000	 7.533675000	 8.065708000
 C	-2.496794000	 8.334524000	 8.439065000
 C	-3.396639000	 9.433191000	 8.766587000
 C	-4.695062000	 9.405345000	 7.917350000
 H	-5.125532000	 10.404728000	 7.803811000
 H	-4.554407000	 8.939202000	 6.942771000
 O	-3.974612000	 9.207769000	 10.111973000
 O	-5.594194000	 8.599771000	 8.701978000
 C	-5.179707000	 8.610419000	 9.989678000
 O	-5.807246000	 8.146974000	 10.906126000
 C	-2.709097000	 10.795605000	 8.749367000
 C	-1.484975000	 10.982022000	 8.097148000
 C	-3.337779000	 11.887519000	 9.366107000
 C	-0.897173000	 12.250173000	 8.066437000
 H	-0.980510000	 10.144032000	 7.625782000
 C	-2.745816000	 13.149735000	 9.335966000
 H	-4.282545000	 11.745011000	 9.883043000
 C	-1.522314000	 13.334644000	 8.683396000
 H	 0.058074000	 12.377202000	 7.566027000
 H	-3.236944000	 13.986765000	 9.825343000
 H	-1.059371000	 14.317900000	 8.662378000
 C	 0.278729630	 5.735812290	 3.988562070
 C	-0.729867890	 6.699559610	 4.008400660
 C	 0.125886980	 4.581888050	 3.220239400
 C	-1.891547410	 6.508776830	 3.260302570
 H	-0.608976390	 7.609467110	 4.613872730
 C	-1.036499340	 4.390757870	 2.472212770
 H	 0.921100780	 3.822500330	 3.204058840
 C	-2.045016220	 5.354096030	 2.492468300
 H	-2.686656010	 7.268175320	 3.275963630
 H	-1.156810840	 3.480823090	 1.866539440
 H	-2.961234970	 5.203751110	 1.903050080
 C	-1.083237020	 6.055760510	 10.580406190
 C	-2.279396750	 6.625802800	 11.017127070
 C	 0.135710650	 6.627559180	 10.944321850
 C	-2.256304470	 7.768096960	 11.817238900
 H	-3.240314340	 6.174575320	 10.730467060
 C	 0.158830760	 7.770639490	 11.744352730
 H	 1.078593540	 6.177938430	 10.600651150
 C	-1.037093860	 8.340764640	 12.180539190
 H	-3.198975610	 8.217612520	 12.161384100
 H	 1.120046810	 8.221338810	 12.031110760
 H	-1.019205580	 9.241650980	 12.811061220
 C	 1.883836020	 2.210699050	 7.400173570
 H	 0.979075580	 1.946039610	 6.893948400
 H	 2.720399450	 2.009370780	 6.764147970
 H	 1.971687000	 1.635181200	 8.297927100
 C	 3.150090610	 3.982336590	 8.540372350
 H	 3.237469420	 5.031635400	 8.730732430
 H	 3.120153610	 3.452560600	 9.469533890
 H	 3.992102670	 3.652250650	 7.968569100

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

-Cu 0
LANL2DZ


