%mem=16GB
%chk=TS1-S1a-ph-SMDrep-f.chk
#p freq wb97xd/genecp scrf=(smd,solvent=thf)  

Title Card Required

0 1
Cu    -0.415460     0.158268    -0.336419
 P    -1.072992    -1.843540    -1.258817
 P    -1.111993     0.536463     1.888133
 B    -1.624906     1.510220    -1.351120
 O    -2.229635     2.691355    -0.945707
 O    -2.145002     1.112461    -2.577845
 C    -3.353435     2.955565    -1.811604
 C    -2.954498     2.181110    -3.107857
 C    -0.753701    -2.527621     5.356012
 C    -0.539356    -1.948442     3.024637
 C    -1.252027    -0.284763     4.616404
 C    -1.153329    -1.221323     5.639630
 C    -0.454748    -2.892414     4.046799
 H    -1.578661     0.726315     4.843525
 H    -1.395203    -0.934759     6.658676
 H    -0.681289    -3.258758     6.155730
 C    -0.554197    -3.330881    -0.308728
 C     0.378503    -5.434500     1.283049
 C     0.815660    -3.467372    -0.042598
 C    -1.448358    -4.259316     0.224674
 C    -0.982467    -5.303889     1.022986
 C     1.279560    -4.515370     0.743465
 H    -2.512333    -4.170654     0.026298
 H    -1.687816    -6.016114     1.440295
 H     0.738348    -6.248101     1.905608
 C    -2.888304    -2.044859    -1.479463
 C    -5.676197    -2.027472    -1.766971
 C    -3.481334    -2.487120    -2.663330
 C    -3.731725    -1.614818    -0.452046
 C    -5.122795    -1.603922    -0.558940
 C    -4.864375    -2.469462    -2.808612
 H    -2.857649    -2.823184    -3.485114
 H    -5.313679    -2.802396    -3.738665
 H    -6.752416    -2.024838    -1.900138
 C    -2.940117     0.790052     1.991301
 C    -5.736894     0.989304     2.050385
 C    -3.563167     1.830136     2.683347
 C    -3.759378    -0.148450     1.360747
 C    -5.152485    -0.077463     1.369379
 C    -4.950253     1.932032     2.707042
 H    -2.960865     2.574381     3.193742
 H    -5.422205     2.750714     3.240911
 H    -6.816238     1.089592     2.078339
 C    -0.421048     2.135059     2.485941
 C     0.783420     4.584649     3.132795
 C    -0.771321     3.305086     1.796834
 C     0.545391     2.207486     3.492049
 C     1.147537     3.423654     3.808308
 C    -0.181639     4.520542     2.128774
 H    -1.497025     3.261478     0.989615
 H     0.850809     1.313639     4.023934
 H     1.905371     3.456608     4.585291
 H    -0.471787     5.418655     1.591419
 H     1.251111     5.532409     3.382618
 C    -0.400289    -2.183877    -2.937143
 C     0.637809    -2.585734    -5.503336
 C    -0.110943    -3.476129    -3.388111
 C    -0.168048    -1.094577    -3.784544
 C     0.345995    -1.296928    -5.062384
 C     0.406970    -3.674726    -4.665356
 H    -0.288679    -4.330974    -2.742320
 H    -0.413714    -0.093146    -3.445556
 H     0.523478    -0.444608    -5.711484
 H     0.630328    -4.681591    -5.005081
 H     1.045241    -2.741881    -6.497742
 H    -0.291993    -2.230563     2.007284
 H     1.516934    -2.738900    -0.443583
 H    -0.149591    -3.907794     3.813558
 H     2.342560    -4.610958     0.943303
 O    -3.137048    -1.189052     0.710097
 C    -5.928228    -1.194440     0.673392
 C    -0.929919    -0.637910     3.300601
 C    -7.351483    -0.764151     0.310520
 H    -7.892395    -1.585222    -0.167375
 H    -7.916044    -0.501770     1.209028
 H    -7.353293     0.096234    -0.366203
 C    -5.997453    -2.408463     1.630005
 H    -6.541816    -2.139539     2.541042
 H    -6.516977    -3.241532     1.145226
 H    -4.997732    -2.747759     1.917410
 C    -2.064868     2.997975    -4.045220
 H    -1.656421     2.335353    -4.814298
 H    -2.625708     3.795156    -4.542328
 H    -1.226644     3.449972    -3.505526
 C    -4.118061     1.574055    -3.877407
 H    -3.741544     1.051357    -4.762023
 H    -4.666792     0.851889    -3.268689
 H    -4.810714     2.353452    -4.212225
 C    -4.591369     2.375998    -1.129482
 H    -4.515556     1.289587    -1.038477
 H    -4.670787     2.794091    -0.122279
 H    -5.506136     2.617647    -1.679620
 C    -3.499881     4.460286    -1.979309
 H    -2.568019     4.920644    -2.314665
 H    -4.286811     4.692583    -2.704450
 H    -3.777789     4.912632    -1.022286
 C     3.792462     1.766814    -0.966344
 C     5.061246     1.439078    -1.291425
 C     3.315291     3.159175    -1.211952
 H     5.695593     2.236380    -1.681279
 B     5.754829     0.084552    -0.974343
 C     2.645589     3.901172    -0.229020
 C     3.545016     3.762154    -2.454780
 O     5.171580    -1.159642    -1.057116
 O     7.050633     0.025661    -0.525132
 C     2.244337     5.209992    -0.476047
 H     2.426506     3.454549     0.736055
 C     3.130051     5.066899    -2.708074
 H     4.040792     3.191499    -3.234971
 C     6.012063    -2.069564    -0.313657
 C     7.411443    -1.370788    -0.412800
 C     2.482172     5.798885    -1.716310
 H     1.737176     5.767650     0.305293
 H     3.311016     5.509679    -3.683224
 C     5.934826    -3.447405    -0.951546
 C     5.458085    -2.115107     1.111450
 C     8.177218    -1.738936    -1.682924
 C     8.297727    -1.552884     0.809694
 H     2.160396     6.817954    -1.909341
 H     6.629460    -4.135861    -0.459926
 H     4.922887    -3.848516    -0.840026
 H     6.170475    -3.413638    -2.017072
 H     4.410960    -2.427868     1.073761
 H     6.008135    -2.828429     1.732085
 H     5.494420    -1.131358     1.590398
 H     9.037220    -1.071207    -1.785833
 H     8.544426    -2.768521    -1.643527
 H     7.549983    -1.625699    -2.572195
 H     8.508543    -2.614530     0.973633
 H     9.250553    -1.037478     0.657294
 H     7.830069    -1.146024     1.708595
 C     2.937418     0.678813     1.181922
 C     3.799957     1.497087     1.917472
 C     2.326696    -0.386804     1.855089
 C     4.044166     1.263503     3.271491
 H     4.321807     2.313387     1.428983
 C     2.582191    -0.637980     3.198521
 H     1.660742    -1.039437     1.298289
 C     3.445849     0.187573     3.917705
 H     4.719180     1.920461     3.812855
 H     2.104365    -1.482815     3.685563
 H     3.647536    -0.008198     4.966715
 C     2.841470     0.735029    -0.348045
 H     3.294803    -0.221482    -0.613754
 C     1.497214     0.670533    -1.076940
 C     0.537103     1.738245    -1.237252
 H     0.306536     2.066066    -2.253369
 H     0.562059     2.563289    -0.530434
 H     1.625297     0.094599    -1.995118

 -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








