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

LCu1R1R2_rri

0 1
 C	 4.470064000	 12.132851000	 5.799715000
 H	 5.398484000	 11.657413000	 6.122214000
 N	 4.131018000	 11.623329000	 4.439438000
 O	 4.177717000	 13.860110000	 4.205621000
 Cu	 3.488226000	 9.598594000	 4.113184000
 C	 4.686754000	 13.644565000	 5.553808000
 H	 4.134432000	 14.296269000	 6.231801000
 H	 5.744296000	 13.921614000	 5.555418000
 N	 3.025617000	 10.194237000	 2.198257000
 O	 2.887546000	 11.405564000	 0.312107000
 C	 3.958120000	 12.635274000	 3.675237000
 C	 3.546591000	 12.681600000	 2.218403000
 C	 3.158328000	 11.337729000	 1.632463000
 C	 2.610984000	 10.048700000	-0.135586000
 H	 3.430710000	 9.742129000	-0.791122000
 H	 1.672743000	 10.058549000	-0.692018000
 C	 2.551710000	 9.227034000	 1.179404000
 H	 1.516337000	 8.972743000	 1.430035000
 C	 3.776584000	 8.138356000	 5.284692000
 C	 4.313725000	 7.301644000	 6.012141000
 C	 5.152407000	 6.418318000	 6.790928000
 C	 5.545289000	 5.125477000	 6.084769000
 C	 4.615342000	 6.194889000	 8.240806000
 O	 4.115274000	 7.361457000	 8.859357000
 H	 5.399166000	 5.731019000	 8.856034000
 H	 3.786473000	 5.484661000	 8.163178000
 C	 6.112881000	 4.050703000	 6.789661000
 C	 6.324589000	 2.776300000	 4.740576000
 C	 6.493606000	 2.885298000	 6.122995000
 C	 5.388926000	 5.009414000	 4.694976000
 C	 5.772856000	 3.844409000	 4.030205000
 H	 4.962759000	 5.836015000	 4.136473000
 H	 6.277284000	 4.118258000	 7.858077000
 H	 6.926761000	 2.063634000	 6.687369000
 H	 6.621301000	 1.867744000	 4.222858000
 H	 5.634845000	 3.776045000	 2.955151000
 C	 3.359951000	 11.759396000	 6.763083000
 C	 3.530077000	 10.676336000	 7.632093000
 C	 2.123599000	 12.419530000	 6.724725000
 C	 2.482473000	 10.256981000	 8.456005000
 H	 4.473400000	 10.138118000	 7.638875000
 C	 1.079312000	 12.010282000	 7.555079000
 H	 1.969748000	 13.248984000	 6.037776000
 C	 1.257552000	 10.926731000	 8.422408000
 H	 2.622388000	 9.392715000	 9.098073000
 H	 0.126166000	 12.531810000	 7.521628000
 H	 0.441029000	 10.603144000	 9.062766000
 C	 3.367997000	 7.952063000	 1.116576000
 C	 2.775595000	 6.786522000	 0.614466000
 C	 4.717974000	 7.925972000	 1.488247000
 C	 3.523077000	 5.615356000	 0.473255000
 H	 1.724676000	 6.796029000	 0.333765000
 C	 5.463054000	 6.751845000	 1.361464000
 H	 5.180388000	 8.818024000	 1.898499000
 C	 4.870413000	 5.596706000	 0.843851000
 H	 3.052268000	 4.718291000	 0.079793000
 H	 6.501601000	 6.740131000	 1.678645000
 H	 5.453527000	 4.686285000	 0.734500000
 H	 4.821781000	 8.031960000	 8.803300000
 C	 2.318021000	 13.623498000	 2.082740000
 H	 1.475715000	 13.249082000	 2.674382000
 H	 2.576719000	 14.625020000	 2.433169000
 H	 2.012853000	 13.683893000	 1.035360000
 C	 4.743109000	 13.248499000	 1.406369000
 H	 5.604996000	 12.574410000	 1.461798000
 H	 4.460959000	 13.370230000	 0.358302000
 H	 5.032907000	 14.221720000	 1.809821000
 S	 6.809126000	 7.398740000	 7.068925000
 O	 7.835763000	 6.485122000	 7.619339000
 O	 6.452491000	 8.612126000	 7.864176000
 C	 7.348911000	 7.948515000	 5.450297000
 C	 8.218683000	 7.141132000	 4.713854000
 C	 6.862717000	 9.158116000	 4.949109000
 C	 8.621635000	 7.572161000	 3.448325000
 H	 8.578931000	 6.205532000	 5.127441000
 C	 7.268372000	 9.574373000	 3.681683000
 H	 6.171871000	 9.746600000	 5.536443000
 C	 8.147552000	 8.783977000	 2.934605000
 H	 9.305066000	 6.961868000	 2.865107000
 H	 6.887703000	 10.509370000	 3.280577000
 H	 8.462143000	 9.110563000	 1.947105000

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

-Cu 0
LANL2DZ


