%mem=16GB
%chk=CuxantOtBu.chk
#p opt freq wb97xd/genecp scrf=(solvent=thf,smd) 

Title Card Required

0 1
 C     2.261161     1.412400    -0.818369
 C     1.237468     2.355666    -0.715953
 C     1.325772     3.651911    -1.217527
 C     2.501154     3.993666    -1.886526
 C     3.539267     3.074119    -2.020070
 C     3.427912     1.794809    -1.482567
 H     2.618727     4.987313    -2.305284
 H     4.446033     3.360030    -2.543211
 H     4.245240     1.089466    -1.591090
 C     0.163719     4.601339    -0.926424
 C    -1.122363     3.778611    -1.009524
 C    -1.083770     2.464166    -0.544061
 C    -2.348182     4.256275    -1.469452
 C    -2.194137     1.617303    -0.528646
 C    -3.482515     3.448365    -1.446310
 H    -2.428417     5.270145    -1.845966
 C    -3.409044     2.140305    -0.980684
 H    -4.430194     3.839983    -1.801202
 H    -4.297060     1.517643    -0.988047
 O     0.095563     1.947538    -0.069230
 P     1.909079    -0.257303    -0.137340
 P    -1.956361    -0.152513    -0.066202
Cu    -0.107062    -1.277978    -0.877077
 C     1.979640     0.006285     1.683906
 C     1.585521    -1.065675     2.492868
 C     2.392380     1.197910     2.284092
 C     1.622123    -0.953651     3.878217
 H     1.250619    -1.993404     2.035274
 C     2.413753     1.313498     3.672691
 H     2.700635     2.040698     1.672360
 C     2.033397     0.238647     4.471194
 H     1.314710    -1.792634     4.494459
 H     2.733243     2.245609     4.129178
 H     2.051256     0.330395     5.552962
 C    -1.893337    -0.170891     1.772561
 C    -2.017536    -1.414113     2.406980
 C    -1.662450     0.968657     2.544416
 C    -1.937523    -1.508693     3.791623
 H    -2.192080    -2.310929     1.817006
 C    -1.567287     0.868300     3.930925
 H    -1.562945     1.941675     2.074530
 C    -1.710928    -0.366024     4.557109
 H    -2.046609    -2.476138     4.272194
 H    -1.381892     1.760766     4.520569
 H    -1.639296    -0.440008     5.637907
 C    -3.597897    -0.885120    -0.444347
 C    -3.743117    -1.539514    -1.671420
 C    -4.694384    -0.796110     0.420637
 C    -4.968366    -2.093621    -2.033321
 H    -2.889583    -1.627413    -2.338492
 C    -5.915974    -1.357194     0.060762
 H    -4.593804    -0.288919     1.375655
 C    -6.054241    -2.005072    -1.166172
 H    -5.069235    -2.603069    -2.986550
 H    -6.761377    -1.288069     0.738491
 H    -7.007907    -2.444186    -1.443116
 C     3.432180    -1.222201    -0.476882
 C     3.324166    -2.291366    -1.373652
 C     4.661482    -0.943161     0.132836
 C     4.450152    -3.060358    -1.669085
 H     2.346473    -2.539519    -1.797065
 C     5.779177    -1.714648    -0.166918
 H     4.742490    -0.124228     0.842988
 C     5.674055    -2.771955    -1.071723
 H     4.365933    -3.892350    -2.362355
 H     6.731377    -1.495027     0.306628
 H     6.547557    -3.374669    -1.302743
 O     0.215572    -2.898454    -1.887418
 C    -0.066798    -4.136569    -1.336645
 C     0.654280    -5.219788    -2.161748
 H     0.458930    -6.233626    -1.790204
 H     0.330112    -5.168005    -3.207172
 H     1.736719    -5.048376    -2.135657
 C    -1.582125    -4.419766    -1.353644
 H    -2.108158    -3.666487    -0.755198
 H    -1.964810    -4.357599    -2.378882
 H    -1.831452    -5.410725    -0.952540
 C     0.426292    -4.224262     0.125018
 H     0.262998    -5.213015     0.572848
 H     1.497671    -3.997700     0.172058
 H    -0.104908    -3.484011     0.739904
 C     0.143992     5.797986    -1.879658
 H    -0.678142     6.474400    -1.631790
 H     1.065123     6.378754    -1.784241
 H     0.035598     5.484190    -2.922278
 C     0.317019     5.116166     0.525042
 H     1.246753     5.685373     0.625902
 H    -0.522582     5.769426     0.783678
 H     0.342644     4.290363     1.242738

-Cu 0
 lanl2dz
 F    1 1.00
 3.5250000           1.0
 ****
 -P
 lanl2dz
 D    1 1.00
 0.3870000           1.0
 ****
 -O C H
 6-31g(d,p)
 ******

 -Cu 1
 lanl2dz
 -P
 lanl2dz

















