%mem=16GB
%chk=TS1-S1a-giro-SMD-3-f.chk
#p freq wb97xd/genecp scrf=(smd,solvent=thf)

Title Card Required

0 1
Cu     0.196508    -0.023228     0.543432
 P     0.859747    -2.009193    -0.451652
 P     1.024401     1.846750    -0.606085
 B     1.328233    -0.069356     2.283599
 O     1.966984     0.985005     2.921032
 O     1.800308    -1.280459     2.765590
 C     3.094459     0.454206     3.649559
 C     2.651996    -1.024121     3.900421
 C     0.302655     1.967574    -5.179331
 C    -0.214956     1.117951    -2.982584
 C     1.499070     2.793744    -3.253325
 C     1.270427     2.805943    -4.624964
 C    -0.437512     1.123077    -4.358140
 H     2.262868     3.439240    -2.828522
 H     1.851752     3.464288    -5.263507
 H     0.131543     1.971296    -6.251746
 C     0.446423    -2.232631    -2.232603
 C    -0.385388    -2.539338    -4.887180
 C     1.384023    -2.451419    -3.241490
 C    -0.910815    -2.156147    -2.567069
 C    -1.327988    -2.323433    -3.881041
 C     0.967547    -2.593424    -4.565685
 H    -1.647539    -1.955711    -1.794988
 H    -2.387441    -2.271994    -4.113313
 H    -0.705220    -2.658745    -5.918019
 C     2.668253    -2.359684    -0.362637
 C     5.446803    -2.644221    -0.071813
 C     3.213453    -3.540766     0.145748
 C     3.556891    -1.345472    -0.720581
 C     4.942866    -1.457823    -0.602391
 C     4.589240    -3.677551     0.297127
 H     2.560175    -4.351054     0.449508
 H     4.996643    -4.596162     0.706912
 H     6.516567    -2.772667     0.051904
 C     2.854198     2.072289    -0.514038
 C     5.651273     2.177138    -0.325961
 C     3.495642     3.252842    -0.132901
 C     3.655882     0.972504    -0.817467
 C     5.047097     0.987762    -0.730608
 C     4.883244     3.302334    -0.037764
 H     2.909140     4.133936     0.104932
 H     5.369731     4.223565     0.266543
 H     6.730454     2.234516    -0.234962
 C     0.426086     3.448291     0.069788
 C    -0.468369     5.813852     1.266457
 C     0.520191     3.620039     1.459129
 C    -0.127208     4.464728    -0.709449
 C    -0.568511     5.644079    -0.110291
 C     0.078986     4.798528     2.051132
 H     0.954907     2.832850     2.071193
 H    -0.230509     4.340495    -1.782758
 H    -1.001633     6.425474    -0.726506
 H     0.160574     4.923319     3.126999
 H    -0.817305     6.732170     1.729140
 C     0.131549    -3.529446     0.285182
 C    -0.990471    -5.787795     1.492731
 C     0.091624    -4.750484    -0.398308
 C    -0.395368    -3.450471     1.576283
 C    -0.953227    -4.576438     2.178566
 C    -0.464246    -5.874445     0.204129
 H     0.492269    -4.821370    -1.405561
 H    -0.351867    -2.508961     2.111768
 H    -1.362553    -4.503233     3.181600
 H    -0.492683    -6.816789    -0.334410
 H    -1.430561    -6.663775     1.959753
 H    -0.796735     0.467748    -2.335398
 H     2.441646    -2.518108    -3.004145
 H    -1.188132     0.463770    -4.782501
 H     1.706155    -2.755701    -5.344957
 O     3.013048    -0.180296    -1.205157
 C     5.792004    -0.291503    -1.106079
 C     0.752243     1.950685    -2.421176
 C     7.208676    -0.320808    -0.529726
 H     7.725534    -1.237866    -0.824847
 H     7.799903     0.511238    -0.921271
 H     7.202008    -0.260024     0.563195
 C     5.873608    -0.378433    -2.648466
 H     6.447089     0.466558    -3.043036
 H     6.369883    -1.307371    -2.947689
 H     4.879074    -0.358324    -3.103676
 C     1.789377    -1.188009     5.151940
 H     1.350150    -2.190070     5.151065
 H     2.376689    -1.071112     6.067722
 H     0.972662    -0.459405     5.167314
 C     3.784971    -2.039442     3.900210
 H     3.381581    -3.041967     4.072730
 H     4.313017    -2.049932     2.944122
 H     4.502308    -1.819679     4.698081
 C     4.312893     0.563660     2.732959
 H     4.193100    -0.063896     1.846209
 H     4.417185     1.600639     2.401648
 H     5.232912     0.268039     3.246845
 C     3.305293     1.284268     4.906426
 H     2.391550     1.355277     5.500437
 H     4.093949     0.848031     5.528315
 H     3.612769     2.298112     4.632174
 C    -3.254527     1.373087    -0.461968
 C    -3.786428     0.308915    -1.096221
 C    -3.317163     2.704249    -1.144139
 H    -4.200763     0.527497    -2.083575
 B    -4.080399    -1.163224    -0.696392
 C    -3.049560     2.819183    -2.514408
 C    -3.659785     3.868855    -0.443200
 O    -4.376437    -1.644963     0.556385
 O    -4.270793    -2.111183    -1.674778
 C    -3.110519     4.049134    -3.161750
 H    -2.767432     1.936160    -3.075712
 C    -3.749419     5.095096    -1.094630
 H    -3.871482     3.819794     0.619131
 C    -3.468180     5.194841    -2.455080
 H    -2.874478     4.108227    -4.220387
 H    -4.029842     5.979483    -0.529962
 H    -3.523433     6.155703    -2.958127
 C    -3.542282     1.733614     2.033749
 C    -4.771190     1.087625     2.199982
 C    -3.172941     2.706063     2.970682
 C    -5.598229     1.397185     3.276377
 H    -5.071214     0.323776     1.491051
 C    -3.998592     3.017975     4.048803
 H    -2.230875     3.234250     2.840909
 C    -5.217241     2.362706     4.207092
 H    -6.548785     0.882198     3.387334
 H    -3.690749     3.778529     4.761072
 H    -5.865719     2.604539     5.044086
 C    -2.569984     1.376070     0.904135
 H    -1.853828     2.203704     0.868666
 C    -1.772900     0.121007     1.249656
 C    -0.809689     0.218328     2.326492
 H    -0.791356    -0.585101     3.063637
 H    -0.680474     1.198760     2.785529
 H    -2.334909    -0.807488     1.216296
 C    -4.582409    -3.366655    -1.025279
 C    -5.076887    -2.897631     0.386779
 C    -3.295407    -4.181327    -0.957431
 H    -3.478010    -5.173170    -0.535121
 H    -2.890131    -4.305946    -1.965363
 H    -2.540264    -3.678808    -0.348272
 C    -5.625791    -4.097810    -1.856309
 H    -5.192990    -4.385814    -2.818945
 H    -5.951242    -5.009164    -1.344759
 H    -6.500509    -3.473360    -2.049484
 C    -6.569949    -2.571324     0.426944
 H    -7.178740    -3.477510     0.360945
 H    -6.798891    -2.072261     1.372971
 H    -6.854266    -1.899713    -0.388948
 C    -4.711440    -3.824148     1.535472
 H    -5.088577    -3.410162     2.475221
 H    -5.165430    -4.809740     1.391100
 H    -3.630454    -3.946057     1.625542

 -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








