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

LCuW2_2OTf

0 2
 6	 5.620427000	 12.123439000	 4.328647000
 1	 6.227563000	 11.216309000	 4.338866000
 7	 4.358572000	 11.828628000	 3.619989000
 8	 5.216628000	 13.531575000	 2.482493000
 29	 3.090070000	 10.341193000	 4.105363000
 6	 6.261808000	 13.198426000	 3.422761000
 1	 6.537149000	 14.109269000	 3.953047000
 1	 7.109003000	 12.820054000	 2.849573000
 7	 2.090902000	 10.654100000	 2.430263000
 8	 1.132503000	 11.828627000	 0.811956000
 6	 4.228813000	 12.663773000	 2.654432000
 8	 4.065129000	 9.850400000	 5.819826000
 1	 4.203637000	 10.622744000	 6.391315000
 1	 4.957392000	 9.502139000	 5.572134000
 6	 3.079378000	 12.855518000	 1.699828000
 8	 1.931846000	 8.676300000	 4.556294000
 1	 2.497729000	 7.971923000	 4.189479000
 1	 2.000045000	 8.598769000	 5.520793000
 6	 2.102164000	 11.710335000	 1.705667000
 6	 0.217646000	 10.726192000	 1.016419000
 1	 0.040453000	 10.259884000	 0.047729000
 1	-0.703598000	 11.141712000	 1.423828000
 6	 0.949027000	 9.811602000	 2.022653000
 1	 0.323389000	 9.634009000	 2.897965000
 6	 5.382379000	 12.588553000	 5.750287000
 6	 6.299645000	 12.243472000	 6.747103000
 1	 7.155864000	 11.620834000	 6.499535000
 6	 6.115387000	 12.685488000	 8.055245000
 1	 6.831600000	 12.409536000	 8.822795000
 6	 5.008093000	 13.467577000	 8.377670000
 1	 4.858236000	 13.802930000	 9.399198000
 6	 4.087223000	 13.807237000	 7.388937000
 1	 3.210942000	 14.397592000	 7.634396000
 6	 4.275784000	 13.373724000	 6.080121000
 1	 3.537294000	 13.616256000	 5.324638000
 6	 2.325734000	 14.140276000	 2.128751000
 1	 1.532355000	 14.348543000	 1.407920000
 1	 3.021087000	 14.982687000	 2.142906000
 1	 1.874305000	 14.017102000	 3.115586000
 6	 3.638663000	 13.008921000	 0.266425000
 1	 2.814125000	 13.151064000	-0.433743000
 1	 4.208274000	 12.122964000	-0.030007000
 1	 4.295068000	 13.879150000	 0.220285000
 6	 1.423310000	 8.491007000	 1.455413000
 6	 0.854577000	 7.296819000	 1.896353000
 1	 0.079433000	 7.320377000	 2.657661000
 6	 1.283630000	 6.077024000	 1.376619000
 1	 0.836620000	 5.152887000	 1.730306000
 6	 2.288067000	 6.044953000	 0.413126000
 1	 2.629715000	 5.095018000	 0.013537000
 6	 2.858441000	 7.236238000	-0.033061000
 1	 3.648059000	 7.217075000	-0.777679000
 6	 2.426113000	 8.451849000	 0.484385000
 1	 2.888728000	 9.374053000	 0.142216000
 16	 5.734352000	 8.117019000	 3.463446000
 8	 6.140270000	 6.719578000	 3.410537000
 8	 6.289182000	 8.902708000	 4.593474000
 8	 4.289963000	 8.371437000	 3.259022000
 6	 6.500657000	 8.891632000	 1.976311000
 9	 7.826879000	 8.827381000	 2.053088000
 9	 6.098603000	 8.264611000	 0.875094000
 9	 6.145003000	 10.179096000	 1.880059000
 16	 0.329523000	 11.936277000	 5.251309000
 8	-0.668922000	 11.116085000	 5.934830000
 8	 1.731637000	 11.497397000	 5.474910000
 8	 0.024319000	 12.303506000	 3.863660000
 6	 0.305435000	 13.547503000	 6.144692000
 9	 1.179216000	 14.403322000	 5.594170000
 9	-0.905826000	 14.096909000	 6.084336000
 9	 0.637684000	 13.383911000	 7.425419000

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

-Cu 0
LANL2DZ


