%mem=16GB
%chk=I6-R1a-2giro.chk
#p opt freq wb97xd/genecp scrf=(smd,solvent=thf)

Title Card Required

0 1
 Cu                -3.52920362    4.11215194    3.42573693
 C                 -1.66161420   -0.71089733    2.37031122
 H                 -1.32434568   -1.75182568    2.29413351
 H                 -0.77881706   -0.07999900    2.19740268
 C                 -2.70557600   -0.42309500    1.24347600
 H                 -2.17177680   -0.48977893    0.28914464
 P                 -1.95878773    5.24735103    4.93881205
 P                 -5.64179928    5.09101056    3.76215900
 B                 -2.20463592   -0.44935566    3.82242950
 O                 -3.46222306   -0.80613937    4.24233072
 O                 -1.46740375    0.14622304    4.81908375
 C                 -3.47298717   -0.70161810    5.68380504
 C                 -2.35460753    0.36284428    5.94173118
 C                 -5.35706060    9.54634583    2.52589741
 C                 -4.66573826    7.24640492    2.30952432
 C                 -6.33218675    7.85561951    3.94604973
 C                 -6.22927957    9.18665145    3.55062662
 C                 -4.57991012    8.57378488    1.90142493
 H                 -7.02515247    7.58170695    4.73618130
 H                 -6.83592736    9.94235146    4.04053941
 H                 -5.27937288   10.58445891    2.21701800
 C                 -1.83058975    7.00291532    4.38810772
 C                 -1.63792420    9.60337018    3.36665607
 C                 -1.23641980    7.23576773    3.14041835
 C                 -2.34099394    8.08405861    5.10856707
 C                 -2.24768564    9.37669861    4.59669828
 C                 -1.13141321    8.52802810    2.63874978
 H                 -2.80451932    7.93202725    6.07726858
 H                 -2.65010064   10.20810935    5.16740871
 H                 -1.56234914   10.61244081    2.97303452
 C                 -2.21979581    5.33783966    6.76058318
 C                 -2.89475501    5.25154383    9.48515030
 C                 -1.27042804    4.96687842    7.71735026
 C                 -3.50116045    5.65026174    7.21787286
 C                 -3.86661202    5.63626139    8.56368224
 C                 -1.60935479    4.91766438    9.06525441
 H                 -0.26791613    4.69355491    7.40758884
 H                 -0.86469315    4.61865625    9.79582888
 H                 -3.13430618    5.21179099   10.54220490
 C                 -6.46363606    5.10738017    5.41330982
 C                 -7.49546087    5.05820999    8.02367059
 C                 -7.76835627    4.67068229    5.65377225
 C                 -5.71783859    5.53433678    6.51235038
 C                 -6.20003150    5.53068605    7.82031611
 C                 -8.27431398    4.63637991    6.94939603
 H                 -8.38941546    4.34041848    4.82868761
 H                 -9.28573789    4.28314645    7.12225942
 H                 -7.90999906    5.02405081    9.02523099
 C                 -6.98181305    4.45565393    2.66685332
 C                 -8.96527069    3.33595524    1.03760501
 C                 -7.65002647    3.28800730    3.06040680
 C                 -7.31827141    5.05498558    1.45086383
 C                 -8.30246764    4.49309799    0.63902539
 C                 -8.63969121    2.73674130    2.25341606
 H                 -7.39152627    2.81488329    4.00410503
 H                 -6.81346984    5.96002717    1.12817135
 H                 -8.55157258    4.96609718   -0.30612251
 H                 -9.15060516    1.83291995    2.57163755
 H                 -9.73185771    2.90104373    0.40339035
 C                 -0.20329052    4.70754460    4.80063801
 C                  2.43803366    3.81601614    4.55755382
 C                  0.86174476    5.52514068    5.20323683
 C                  0.07103383    3.44704060    4.26502598
 C                  1.38754450    3.00191593    4.14622673
 C                  2.17376969    5.08055755    5.08505093
 H                  0.66146041    6.51310409    5.60871721
 H                 -0.74453726    2.82251469    3.91320917
 H                  1.58575971    2.02429757    3.71768724
 H                  2.99139245    5.72158549    5.40047698
 H                  3.46335196    3.47164360    4.46107852
 H                 -4.04445931    6.49081425    1.83421429
 H                 -0.84136802    6.40343490    2.56303407
 H                 -3.89173346    8.84958499    1.10901089
 H                 -0.65814791    8.69380010    1.67562015
 O                 -4.43735845    5.96570009    6.26144896
 C                 -5.28561654    6.07941989    8.91350283
 C                 -5.54944207    6.87595970    3.32901535
 C                 -2.44593557    3.31140534    1.97071079
 C                 -5.70789614    5.61177761   10.30725234
 H                 -5.04627093    6.03160502   11.06949307
 H                 -6.71644175    5.96255261   10.54123697
 H                 -5.68939048    4.52072925   10.39162938
 C                 -5.34034327    7.62481510    8.86257438
 H                 -6.35542376    7.97202114    9.08073239
 H                 -4.65789377    8.05130123    9.60478320
 H                 -5.05543737    8.00346418    7.87624140
 C                 -1.58462689    0.17491879    7.23855572
 H                 -0.78774171    0.92157188    7.30797392
 H                 -2.25086610    0.30875214    8.09690650
 H                 -1.13401097   -0.81629597    7.30317711
 C                 -2.85848700    1.80226092    5.83509813
 H                 -1.99995307    2.47976550    5.82208533
 H                 -3.42766401    1.95682620    4.91348622
 H                 -3.49326067    2.06812295    6.68516342
 C                 -4.86291341   -0.29157783    6.14353276
 H                 -5.20289002    0.61670847    5.64162796
 H                 -5.57606889   -1.09084082    5.92171974
 H                 -4.87211571   -0.11895608    7.22453614
 C                 -3.11661961   -2.08650844    6.22686643
 H                 -2.11710939   -2.39273342    5.90127563
 H                 -3.16048196   -2.11189415    7.31979549
 H                 -3.83659904   -2.81298331    5.83876308
 B                 -3.75757486   -1.58799406    1.29073196
 O                 -3.74292710   -2.62093776    2.19408951
 O                 -4.67833481   -1.79202290    0.28283539
 C                 -4.81642812   -3.52932602    1.85488746
 C                 -5.10413516   -3.17119489    0.35487253
 C                 -4.34078104   -4.95470946    2.08192058
 H                 -5.11373468   -5.66865425    1.77966608
 H                 -3.43098958   -5.16335423    1.51768730
 H                 -4.13197136   -5.11014294    3.14474314
 C                 -5.98792829   -3.20760411    2.77786145
 H                 -6.82917016   -3.88690711    2.61369166
 H                 -5.66438608   -3.29967274    3.81818128
 H                 -6.33274383   -2.18297241    2.61867201
 C                 -6.56539066   -3.25561226   -0.04999575
 H                 -6.94419906   -4.27498774    0.07650922
 H                 -7.17924387   -2.58070039    0.54799221
 H                 -6.67483746   -2.97774845   -1.10219973
 C                 -4.22992011   -3.94498792   -0.63175700
 H                 -4.52860299   -4.99590889   -0.69025645
 H                 -4.34715309   -3.50119522   -1.62511012
 H                 -3.17240593   -3.89370549   -0.35361108
 C                 -3.28495500    0.98465400    1.36898200
 H                 -3.81567400    1.03156400    2.33102400
 H                 -1.62981859    4.00873966    1.72247332
 C                 -4.38462840    1.19187761    0.31097596
 C                 -5.59577572    1.78379066    0.67046524
 C                 -4.16981137    0.78793445   -1.00668549
 C                 -6.59208159    1.97106444   -0.28740995
 H                 -5.76511590    2.10144141    1.70953390
 C                 -5.16594421    0.97609147   -1.96518754
 H                 -3.21522955    0.32156023   -1.29023034
 C                 -6.37700627    1.56742377   -1.60575488
 H                 -7.54698538    2.43703814   -0.00399547
 H                 -4.99613222    0.65787491   -3.00411792
 H                 -7.16268272    1.71523863   -2.36084402
 C                 -2.30396600    2.14576800    1.29902200
 C                 -1.03230033    2.05233126    0.43546194
 C                 -1.04543172    2.52115582   -0.87850249
 C                  0.13263400    1.49912425    0.96691105
 C                  0.10596405    2.43613574   -1.66098643
 H                 -1.96422257    2.95653637   -1.29744038
 C                  1.28474830    1.41490533    0.18463889
 H                  0.14321017    1.12973157    2.00255877
 C                  1.27155879    1.88316370   -1.12917128
 H                  0.09551038    2.80507399   -2.69687821
 H                  2.20321967    0.97905258    0.60406343
 H                  2.17928760    1.81628758   -1.74630361
 
 -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







