%mem=16GB
%chk=I4-R1aSMD.chk
#p opt freq wb97xd/genecp scrf=(smd,solvent=thf)

Title Card Required

0 1
Cu    -0.073606     0.078277    -0.038017
 P    -1.448160    -1.689085     0.766965
 P    -1.280663     2.117491     0.173314
 B     0.931754    -0.267175    -2.860351
 O     0.062151     0.521188    -3.590480
 O     0.581825    -1.603238    -2.939411
 C    -1.057929    -0.291313    -3.992429
 C    -0.450297    -1.735755    -3.941685
 C    -1.088151     2.892323     4.731154
 C    -0.050354     2.305071     2.637498
 C    -2.405625     2.828488     2.706875
 C    -2.311754     3.032989     4.082654
 C     0.045052     2.530334     4.004677
 H    -3.360932     2.954141     2.205847
 H    -3.197618     3.308687     4.646158
 H    -1.018852     3.055748     5.802004
 C    -1.859900    -1.437599     2.540359
 C    -2.338299    -0.993187     5.257788
 C    -3.102866    -1.753536     3.097730
 C    -0.859791    -0.901880     3.354912
 C    -1.096231    -0.687743     4.708749
 C    -3.341224    -1.526411     4.450293
 H     0.108116    -0.649100     2.933020
 H    -0.307776    -0.268730     5.325268
 H    -2.526758    -0.815721     6.312133
 C    -3.098865    -2.006106     0.013771
 C    -5.601248    -2.251171    -1.225172
 C    -3.518881    -3.237010    -0.493980
 C    -3.972423    -0.925786    -0.108343
 C    -5.230059    -1.013385    -0.700784
 C    -4.754855    -3.352365    -1.122978
 H    -2.867806    -4.101200    -0.415778
 H    -5.065199    -4.309324    -1.528777
 H    -6.564360    -2.367638    -1.709452
 C    -3.007548     2.432428    -0.387889
 C    -5.556924     2.598451    -1.546620
 C    -3.408348     3.590067    -1.061485
 C    -3.934437     1.393620    -0.289157
 C    -5.204684     1.436477    -0.862746
 C    -4.672822     3.670931    -1.633995
 H    -2.718767     4.421171    -1.160496
 H    -4.969027     4.571648    -2.161020
 H    -6.531677     2.677239    -2.014847
 C    -0.400222     3.563600    -0.540484
 C     0.921508     5.689976    -1.780276
 C     0.125380     3.411612    -1.828186
 C    -0.260468     4.786507     0.120669
 C     0.400898     5.845127    -0.497583
 C     0.778822     4.473899    -2.446127
 H     0.025843     2.461058    -2.346601
 H    -0.666469     4.912619     1.119933
 H     0.509824     6.790919     0.023954
 H     1.186699     4.346972    -3.444220
 H     1.441653     6.513804    -2.259054
 C    -0.691996    -3.362761     0.723577
 C     0.559980    -5.854867     0.554694
 C    -0.811392    -4.281491     1.769036
 C     0.053535    -3.702174    -0.409856
 C     0.667295    -4.948430    -0.497577
 C    -0.179560    -5.519426     1.687455
 H    -1.381636    -4.024048     2.656204
 H     0.178660    -2.981529    -1.213842
 H     1.253111    -5.198433    -1.375797
 H    -0.263638    -6.222296     2.510449
 H     1.056093    -6.818536     0.495246
 H     0.825823     1.984182     2.079263
 H    -3.887980    -2.175202     2.477395
 H     0.999496     2.401563     4.505702
 H    -4.311178    -1.768366     4.873627
 O    -3.534786     0.273730     0.396732
 C    -6.117753     0.229046    -0.657851
 C    -1.274592     2.466149     1.975180
 C    -7.239855     0.172105    -1.697353
 H    -7.887410    -0.689470    -1.516450
 H    -7.875341     1.058371    -1.626986
 H    -6.844654     0.105258    -2.715182
 C    -6.742312     0.324129     0.755738
 H    -7.354384     1.227779     0.835515
 H    -7.376516    -0.547339     0.945358
 H    -5.969525     0.361984     1.528673
 C     0.249622    -2.140821    -5.239949
 H     0.808948    -3.063722    -5.065246
 H    -0.468920    -2.319001    -6.044547
 H     0.955634    -1.371406    -5.565119
 C    -1.433536    -2.816349    -3.518400
 H    -0.927961    -3.785438    -3.477563
 H    -1.860554    -2.613297    -2.535662
 H    -2.252076    -2.888022    -4.241528
 C    -2.166980    -0.062994    -2.965034
 H    -1.841022    -0.360630    -1.963647
 H    -2.411313     1.002741    -2.932134
 H    -3.076167    -0.619342    -3.210452
 C    -1.526270     0.154262    -5.370559
 H    -0.708563     0.153926    -6.093332
 H    -2.318987    -0.505555    -5.736648
 H    -1.929447     1.168858    -5.310699
 C     4.065290    -1.336876    -0.351643
 C     4.975030    -0.352652    -0.431743
 C     4.468004    -2.742099    -0.642256
 H     5.978466    -0.659064    -0.738070
 B     4.809506     1.191112    -0.272252
 C     3.765581    -3.496947    -1.591833
 C     5.550516    -3.335840     0.014836
 O     4.667466     1.871654     0.915588
 O     4.989432     2.042516    -1.337239
 C     4.150152    -4.801125    -1.886746
 H     2.921268    -3.051635    -2.113286
 C     5.926699    -4.646391    -0.269373
 H     6.088940    -2.763093     0.764367
 C     4.539035     3.278549     0.611176
 C     5.187387     3.372420    -0.814642
 C     5.228938    -5.383269    -1.223155
 H     3.606285    -5.365921    -2.638716
 H     6.763817    -5.093502     0.258460
 C     5.256978     4.075055     1.692584
 C     3.050892     3.621838     0.619016
 C     6.698453     3.608897    -0.775068
 C     4.523782     4.373563    -1.748947
 H     5.521658    -6.404511    -1.446867
 H     5.254861     5.141348     1.446056
 H     4.739371     3.946226     2.647173
 H     6.290124     3.746447     1.817805
 H     2.629336     3.359828     1.593706
 H     2.887795     4.689946     0.455810
 H     2.499030     3.073493    -0.148303
 H     7.104004     3.475641    -1.781346
 H     6.936948     4.621238    -0.437506
 H     7.193256     2.893806    -0.111521
 H     4.586759     5.384956    -1.334817
 H     5.034072     4.368823    -2.716050
 H     3.472824     4.130912    -1.912087
 C     2.490686    -1.322391     1.531461
 C     2.696730    -0.249978     2.408220
 C     2.252923    -2.584317     2.084736
 C     2.648708    -0.432212     3.787976
 H     2.930876     0.729794     2.006914
 C     2.196962    -2.769588     3.464563
 H     2.105201    -3.434528     1.425416
 C     2.393210    -1.693232     4.324661
 H     2.815423     0.415353     4.447317
 H     1.994212    -3.759351     3.863212
 H     2.347554    -1.833589     5.400490
 C     2.585262    -1.149915     0.017569
 H     2.064785    -2.011478    -0.410552
 C     2.121597     0.315068    -2.040039
 H     3.082942    -0.108016    -2.372389
 H     2.182095     1.389046    -2.253854
 C     1.900951     0.119231    -0.507637
 H     2.348216     0.982955    -0.002437

 -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






