%mem=16GB
%chk=TS1-R1a-SMD.chk
#p opt=(ts,calcfc,noeigentest,maxstep=1) freq wb97xd/genecp scrf=(smd,solvent=thf) 

Title Card Required

0 1
Cu    -0.453287     0.379089    -0.053709
 C     0.512308     1.875529    -1.100428
 H    -0.002356     2.829236    -1.203525
 H     1.027257     1.576668    -2.014563
 C     1.206291     1.625231     0.141645
 P    -0.465595    -1.911510    -0.319734
 P    -1.958381     1.100647     1.579603
 B    -1.284355     0.994298    -1.866142
 O    -2.288884     1.943641    -2.002618
 O    -1.115840     0.303890    -3.056023
 C    -2.956490     1.735937    -3.263036
 C    -1.865421     0.977082    -4.088207
 C    -1.157031    -0.619913     5.807130
 C    -0.413344     0.492508     3.800500
 C    -2.721774    -0.174843     4.020899
 C    -2.442702    -0.704060     5.280554
 C    -0.141329    -0.016162     5.065206
 H    -3.731461    -0.235364     3.625324
 H    -3.235564    -1.177892     5.851436
 H    -0.943844    -1.028251     6.790528
 C    -0.551130    -3.050295     1.126540
 C    -0.689806    -4.688206     3.391546
 C    -1.059019    -4.351707     1.029509
 C    -0.129836    -2.577155     2.369661
 C    -0.195100    -3.391466     3.497657
 C    -1.123541    -5.166674     2.155692
 H     0.237218    -1.561587     2.456750
 H     0.129130    -3.002411     4.457906
 H    -0.746506    -5.323778     4.270245
 C    -1.972504    -2.438455    -1.238067
 C    -4.395267    -3.050827    -2.502549
 C    -1.979399    -3.148383    -2.437005
 C    -3.202034    -2.051992    -0.702015
 C    -4.426192    -2.353532    -1.293795
 C    -3.185078    -3.443244    -3.069191
 H    -1.041331    -3.457828    -2.886712
 H    -3.182059    -3.986929    -4.008526
 H    -5.321317    -3.296753    -3.010646
 C    -3.744087     0.836014     1.220550
 C    -6.352219     0.427714     0.279087
 C    -4.723287     1.816705     1.396778
 C    -4.125977    -0.356615     0.599905
 C    -5.410734    -0.586134     0.107491
 C    -6.017152     1.612952     0.929702
 H    -4.464255     2.754047     1.878585
 H    -6.767812     2.385117     1.064140
 H    -7.362649     0.297033    -0.092289
 C    -1.842895     2.924281     1.833385
 C    -1.482914     5.695817     2.038786
 C    -1.873799     3.732858     0.688660
 C    -1.646820     3.522187     3.081046
 C    -1.464837     4.900745     3.181073
 C    -1.696379     5.108470     0.792671
 H    -2.043437     3.280989    -0.285065
 H    -1.627269     2.917710     3.981978
 H    -1.308338     5.350899     4.156876
 H    -1.715350     5.720956    -0.103941
 H    -1.333918     6.768579     2.118532
 C     0.909971    -2.554865    -1.359621
 C     2.984164    -3.378899    -3.048327
 C     1.469481    -3.828558    -1.220850
 C     1.411166    -1.691672    -2.342511
 C     2.439986    -2.103574    -3.184328
 C     2.499403    -4.237957    -2.064286
 H     1.105421    -4.506839    -0.455771
 H     0.971660    -0.706438    -2.462427
 H     2.818383    -1.425650    -3.943557
 H     2.927145    -5.229203    -1.947967
 H     3.788763    -3.700952    -3.702915
 H     0.388220     0.931227     3.210552
 H    -1.412396    -4.728386     0.073754
 H     0.868009     0.045064     5.460734
 H    -1.518222    -6.174593     2.069348
 O    -3.167661    -1.331661     0.468771
 C    -5.695538    -1.936404    -0.551216
 C    -1.709837     0.425863     3.271430
 C    -6.906817    -1.871015    -1.484425
 H    -7.102643    -2.850072    -1.929614
 H    -7.807696    -1.595307    -0.929924
 H    -6.756960    -1.144657    -2.289669
 C    -5.969247    -2.975869     0.561123
 H    -6.854989    -2.687884     1.136734
 H    -6.144759    -3.962511     0.120091
 H    -5.123155    -3.055087     1.250234
 C    -0.891352     1.916812    -4.800346
 H    -0.051971     1.330944    -5.186645
 H    -1.366155     2.432084    -5.640697
 H    -0.491128     2.668501    -4.112525
 C    -2.405757    -0.060714    -5.060016
 H    -1.575005    -0.545047    -5.582405
 H    -2.975388    -0.835026    -4.541624
 H    -3.050179     0.410124    -5.809920
 C    -4.195492     0.886974    -2.981224
 H    -3.914852    -0.096427    -2.597243
 H    -4.804157     1.387002    -2.222040
 H    -4.804441     0.750435    -3.880513
 C    -3.364702     3.087727    -3.829803
 H    -2.516396     3.773339    -3.885724
 H    -3.790452     2.974038    -4.832220
 H    -4.126365     3.541073    -3.187973
 C     3.629823     2.060930    -0.597509
 C     4.830573     1.647224    -1.052149
 C     3.207275     3.470053    -0.851988
 H     5.452238     2.396403    -1.544758
 B     5.474271     0.247979    -0.878069
 C     2.718552     4.298049     0.167845
 C     3.268620     3.987068    -2.151108
 O     6.780760     0.015763    -1.242868
 O     4.878785    -0.858764    -0.326862
 C     2.309276     5.598950    -0.103655
 H     2.654405     3.923245     1.183722
 C     2.853105     5.288059    -2.427136
 H     3.626503     3.351244    -2.956056
 C     7.026661    -1.398109    -1.062812
 C     5.939139    -1.784694    -0.007088
 C     2.369325     6.098524    -1.404113
 H     1.933665     6.221312     0.703161
 H     2.901527     5.663776    -3.445071
 C     8.462352    -1.597778    -0.603773
 C     6.801903    -2.069887    -2.417750
 C     6.367984    -1.488767     1.431196
 C     5.410293    -3.204075    -0.115286
 H     2.039064     7.110921    -1.616903
 H     8.643188    -2.650467    -0.363664
 H     9.151905    -1.308988    -1.402616
 H     8.690319    -0.994273     0.277182
 H     7.449145    -1.597552    -3.162227
 H     7.042940    -3.136306    -2.379736
 H     5.763652    -1.959058    -2.745949
 H     5.496569    -1.575841     2.085115
 H     7.131507    -2.193893     1.772755
 H     6.762223    -0.472699     1.529584
 H     6.213477    -3.925848     0.065587
 H     4.630186    -3.363393     0.635125
 H     4.976425    -3.396461    -1.096989
 H     1.016215     2.354313     0.926878
 C     3.073086     0.671313     1.486211
 C     3.789258     1.494552     2.354120
 C     2.694082    -0.595806     1.940744
 C     4.096015     1.074888     3.650825
 H     4.132375     2.468552     2.016930
 C     2.990706    -1.019453     3.229662
 H     2.165721    -1.255092     1.258780
 C     3.693307    -0.179465     4.097119
 H     4.654580     1.733978     4.309560
 H     2.678915    -2.008085     3.555986
 H     3.931744    -0.506520     5.105092
 C     2.634047     1.104109     0.096225
 H     2.645304     0.198184    -0.520610

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

 -Cu 1
 lanl2dz
 -P
 lanl2dz








