%mem=16GB
%chk=TS2-R1a-SMD-3-f.chk
#p freq wb97xd/genecp scrf=(smd,solvent=thf)

Title Card Required

0 1
Cu     0.549829    -0.203698    -0.726048
 C    -2.460204     0.518061    -1.973854
 H    -2.788013     1.450998    -2.440907
 H    -2.075848    -0.084443    -2.804032
 C    -1.321068     0.788789    -0.945635
 H    -1.488551     0.055934    -0.132596
 P     0.351291    -2.548039    -0.098873
 P     2.454045     0.621416     0.543970
 B    -3.645692    -0.241850    -1.290556
 O    -4.548696     0.279489    -0.396168
 O    -3.822951    -1.602356    -1.447639
 C    -5.118574    -0.821849     0.332505
 C    -4.983224    -1.999438    -0.691798
 C     6.337026    -1.627158    -0.618672
 C     4.225165    -0.603136    -1.165234
 C     4.911705    -0.776683     1.139882
 C     6.081633    -1.415727     0.734025
 C     5.402171    -1.224760    -1.569536
 H     4.730303    -0.619473     2.198036
 H     6.795862    -1.749107     1.480893
 H     7.255081    -2.117147    -0.928762
 C     1.920465    -3.326882     0.482045
 C     4.375540    -4.451253     1.231443
 C     2.863308    -3.692521    -0.487723
 C     2.232350    -3.513800     1.830751
 C     3.456809    -4.067203     2.201791
 C     4.074493    -4.262891    -0.116596
 H     1.523277    -3.241281     2.605686
 H     3.684289    -4.204600     3.254599
 H     5.326684    -4.887326     1.521039
 C    -0.675851    -2.665366     1.431485
 C    -1.788301    -2.813407     4.001062
 C    -1.447095    -3.767938     1.801936
 C    -0.537053    -1.637255     2.362156
 C    -1.029506    -1.693358     3.662871
 C    -2.017140    -3.826679     3.070756
 H    -1.585188    -4.589953     1.106693
 H    -2.620448    -4.684588     3.349399
 H    -2.207093    -2.906348     4.997379
 C     2.221396     0.562523     2.373751
 C     1.622798     0.505280     5.118994
 C     3.108528     1.110066     3.308501
 C     1.044345     0.000361     2.869704
 C     0.695935    -0.019757     4.222322
 C     2.821298     1.060368     4.667288
 H     4.023419     1.583264     2.965196
 H     3.524259     1.474712     5.382524
 H     1.410504     0.504152     6.182840
 C     3.051195     2.357600     0.295694
 C     3.757936     5.023602    -0.230452
 C     2.548267     3.398927     1.081382
 C     3.908631     2.672522    -0.764340
 C     4.258930     3.994137    -1.023871
 C     2.902950     4.720117     0.823672
 H     1.860354     3.188867     1.894196
 H     4.310107     1.889844    -1.398446
 H     4.926340     4.217296    -1.851007
 H     2.485439     5.513299     1.436205
 H     4.026542     6.055145    -0.436703
 C    -0.396323    -3.850963    -1.159547
 C    -1.708692    -5.717063    -2.778890
 C    -0.007069    -5.195064    -1.145055
 C    -1.450420    -3.454424    -1.986430
 C    -2.108874    -4.383247    -2.786997
 C    -0.657866    -6.120704    -1.956674
 H     0.801968    -5.524213    -0.500614
 H    -1.784241    -2.423377    -1.983687
 H    -2.933415    -4.058486    -3.414056
 H    -0.346243    -7.160746    -1.941638
 H    -2.214760    -6.442468    -3.408950
 H     3.486613    -0.293328    -1.899694
 H     2.642821    -3.542957    -1.541846
 H     5.584090    -1.400909    -2.625844
 H     4.790634    -4.547963    -0.880776
 O     0.183041    -0.543908     1.957400
 C    -0.709752    -0.515097     4.582766
 C    -0.418085     3.190504    -0.812599
 C     3.983222    -0.345492     0.190628
 C     0.376227     2.843869    -1.831144
 C    -1.703790     0.624833     4.261267
 H    -2.730240     0.300936     4.461333
 H    -1.485842     1.506000     4.873145
 H    -1.633128     0.911092     3.208375
 C    -0.830803    -0.890371     6.060393
 H    -0.619182    -0.025604     6.694873
 H    -1.850957    -1.207087     6.292904
 H    -0.144514    -1.698589     6.331228
 C    -6.152190    -2.079727    -1.673174
 H    -5.894954    -2.777186    -2.475868
 H    -7.062974    -2.438935    -1.184893
 H    -6.358451    -1.104262    -2.123658
 C    -4.723238    -3.363285    -0.069732
 H    -4.631634    -4.119521    -0.855250
 H    -3.799245    -3.366733     0.511364
 H    -5.551859    -3.651126     0.585841
 C    -4.259223    -1.021236     1.585238
 H    -3.225491    -1.268742     1.322655
 H    -4.248660    -0.088698     2.155718
 H    -4.653797    -1.816128     2.224879
 C    -6.544196    -0.469011     0.726495
 H    -7.140982    -0.178846    -0.140725
 H    -7.030473    -1.316627     1.220446
 H    -6.532481     0.373402     1.424453
 B     0.315668     1.457956    -2.574741
 O    -0.440797     1.365586    -3.758040
 O     1.518893     0.693578    -2.760158
 C     0.359611     0.783937    -4.784131
 C     1.394176    -0.064877    -3.976496
 C    -0.532522    -0.025110    -5.717121
 H     0.064778    -0.553743    -6.467691
 H    -1.129110    -0.755513    -5.165860
 H    -1.219723     0.645273    -6.242297
 C     1.017228     1.930939    -5.559090
 H     1.594641     1.569909    -6.415761
 H     0.234647     2.599538    -5.929446
 H     1.680339     2.513130    -4.911776
 C     2.764778    -0.180609    -4.632704
 H     3.263082     0.789212    -4.695858
 H     3.404234    -0.857950    -4.057887
 H     2.671042    -0.593131    -5.642849
 C     0.869788    -1.456631    -3.632894
 H     0.809762    -2.098865    -4.516887
 H     1.548727    -1.926729    -2.914017
 H    -0.120761    -1.395470    -3.175952
 C    -1.349857     2.151759    -0.199348
 H    -0.937596     1.938533     0.799559
 H     1.097073     3.578551    -2.198252
 C    -0.366504     4.543500    -0.192171
 C    -0.574232     4.725992     1.182876
 C    -0.080318     5.676992    -0.963850
 C    -0.466767     5.984094     1.766907
 H    -0.809104     3.872800     1.811208
 C     0.030478     6.936857    -0.383654
 H     0.049357     5.567861    -2.036596
 C    -0.158960     7.097490     0.987199
 H    -0.624819     6.094891     2.835994
 H     0.255291     7.797803    -1.006858
 H    -0.078966     8.080766     1.441298
 C    -2.732878     2.743101     0.037864
 C    -3.389874     3.483111    -0.949770
 C    -3.380820     2.571817     1.261746
 C    -4.662856     4.002899    -0.732072
 H    -2.889621     3.667934    -1.897085
 C    -4.648442     3.095342     1.493346
 H    -2.882508     2.012534     2.048208
 C    -5.301049     3.808872     0.490989
 H    -5.153274     4.571991    -1.517270
 H    -5.125996     2.948408     2.458766
 H    -6.290880     4.221345     0.664768

 -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









