%mem=16GB
%chk=R1a-giro-TS1SMDrep.chk
#p opt=(ts,calcfc,noeigentest) freq wb97xd/genecp scrf=(smd,solvent=thf)

Title Card Required

0 1
Cu    -0.122456     0.137877    -0.193330
 C     1.346269     0.681901    -1.547843
 H     1.363551     1.729357    -1.843666
 H     1.556926     0.006633    -2.379373
 C     1.960312     0.356986    -0.277079
 P    -0.931309    -2.060830    -0.008896
 P    -1.225502     1.635698     1.216307
 B    -0.720886     0.613745    -2.129901
 O    -1.168119     1.856818    -2.561232
 O    -1.115100    -0.364558    -3.029698
 C    -2.161693     1.647488    -3.584800
 C    -1.729000     0.265801    -4.173483
 C    -0.569567     0.690488     5.704463
 C     0.270186     1.038693     3.470913
 C    -2.096845     1.213548     3.907353
 C    -1.866012     0.912250     5.249137
 C     0.500856     0.758444     4.812415
 H    -3.111165     1.395931     3.564673
 H    -2.703065     0.854977     5.938416
 H    -0.392473     0.458110     6.750328
 C    -1.179555    -2.742480     1.682382
 C    -1.511691    -3.667969     4.298974
 C    -2.085415    -3.774661     1.956799
 C    -0.447379    -2.180664     2.728073
 C    -0.609205    -2.643124     4.032063
 C    -2.249864    -4.234386     3.259237
 H     0.252125    -1.378610     2.519439
 H    -0.031276    -2.194068     4.833493
 H    -1.644419    -4.025703     5.315790
 C    -2.622139    -2.264339    -0.716487
 C    -5.250940    -2.338174    -1.687751
 C    -2.990506    -3.195480    -1.687086
 C    -3.606224    -1.393991    -0.249200
 C    -4.925676    -1.411577    -0.696561
 C    -4.293261    -3.222619    -2.176834
 H    -2.255915    -3.892667    -2.075190
 H    -4.565792    -3.942558    -2.941833
 H    -6.262452    -2.385205    -2.075911
 C    -3.047721     1.847586     0.981309
 C    -5.756546     2.087417     0.285949
 C    -3.678899     3.095960     0.986522
 C    -3.830568     0.735112     0.666927
 C    -5.175848     0.821345     0.302498
 C    -5.019775     3.214224     0.641093
 H    -3.113253     3.985827     1.239535
 H    -5.492022     4.191268     0.639954
 H    -6.797098     2.202831     0.003272
 C    -0.683885     3.394995     1.089164
 C    -0.062567     6.104088     0.755536
 C    -0.604512     3.950118    -0.194388
 C    -0.434211     4.203975     2.200701
 C    -0.119301     5.551493     2.032466
 C    -0.306123     5.299827    -0.356464
 H    -0.798711     3.328086    -1.064944
 H    -0.496290     3.791803     3.202850
 H     0.073224     6.170226     2.903805
 H    -0.257463     5.721931    -1.355977
 H     0.173458     7.156264     0.627114
 C    -0.000685    -3.374538    -0.906221
 C     1.339736    -5.318716    -2.412355
 C     0.388280    -4.580538    -0.317863
 C     0.313625    -3.137866    -2.252144
 C     0.966034    -4.111854    -3.002442
 C     1.064013    -5.543258    -1.066535
 H     0.163456    -4.776971     0.725791
 H     0.015478    -2.200226    -2.714713
 H     1.189847    -3.923802    -4.048249
 H     1.364667    -6.474439    -0.596037
 H     1.851508    -6.076675    -2.997766
 H     1.101810     1.049659     2.769564
 H    -2.665605    -4.217356     1.151934
 H     1.514004     0.570214     5.154517
 H    -2.955739    -5.033709     3.464181
 O    -3.219565    -0.491389     0.712536
 C    -5.919489    -0.475818    -0.011544
 C    -1.030831     1.276734     3.009437
 C    -7.161312    -0.229442    -0.871667
 H    -7.684859    -1.168384    -1.069575
 H    -7.871144     0.417603    -0.349810
 H    -6.903701     0.234972    -1.828741
 C    -6.350904    -1.126954     1.323974
 H    -7.036658    -0.464424     1.862128
 H    -6.860616    -2.076898     1.132726
 H    -5.489077    -1.325317     1.968245
 C    -0.652008     0.381673    -5.251302
 H    -0.256879    -0.615420    -5.467662
 H    -1.051779     0.800436    -6.179692
 H     0.178297     1.009652    -4.913851
 C    -2.874837    -0.610506    -4.655779
 H    -2.481772    -1.562918    -5.024668
 H    -3.580059    -0.827304    -3.850679
 H    -3.413182    -0.123950    -5.476020
 C    -3.521495     1.599908    -2.884250
 H    -3.584984     0.742464    -2.209084
 H    -3.649099     2.508776    -2.288546
 H    -4.344525     1.537275    -3.602881
 C    -2.113680     2.808773    -4.565349
 H    -1.105977     2.963489    -4.956897
 H    -2.793002     2.631514    -5.405569
 H    -2.429311     3.728555    -4.063293
 C     4.170011    -0.870984    -0.814353
 C     4.797662     0.249385    -1.199164
 C     4.842484    -2.196489    -0.953566
 H     5.774198     0.115726    -1.672626
 B     4.391649     1.740786    -0.982742
 C     4.164457    -3.313666    -1.455848
 C     6.173323    -2.357153    -0.546531
 O     4.680476     2.400082     0.190720
 O     3.950458     2.589465    -1.967274
 C     4.802990    -4.544769    -1.569643
 H     3.131535    -3.222147    -1.775904
 C     6.812593    -3.588753    -0.655259
 H     6.701330    -1.507802    -0.122499
 C     4.217397     3.761668     0.064997
 C     4.117376     3.943900    -1.494405
 C     6.129658    -4.688614    -1.169688
 H     4.257657    -5.394336    -1.970534
 H     7.843105    -3.691264    -0.327584
 C     5.219686     4.680394     0.750011
 C     2.869691     3.852114     0.774764
 C     5.406343     4.471059    -2.125110
 C     2.929309     4.772895    -1.959760
 H     6.625321    -5.651380    -1.251929
 H     4.942963     5.729007     0.601281
 H     5.223688     4.480913     1.825730
 H     6.233155     4.528983     0.372985
 H     2.982524     3.495524     1.802978
 H     2.506478     4.882250     0.807042
 H     2.109773     3.240357     0.284997
 H     5.322764     4.402259    -3.213431
 H     5.585521     5.516951    -1.859713
 H     6.272668     3.878965    -1.814883
 H     2.976420     5.784199    -1.542889
 H     2.939812     4.853313    -3.050858
 H     1.983555     4.318254    -1.659917
 H     2.271580     1.197226     0.335073
 C     3.021700    -1.273670     1.326944
 C     3.570819    -0.344246     2.218423
 C     2.724740    -2.552507     1.798155
 C     3.776146    -0.676845     3.553977
 H     3.851980     0.642587     1.857875
 C     2.934760    -2.891708     3.133973
 H     2.315756    -3.288751     1.111679
 C     3.452099    -1.951803     4.020057
 H     4.199202     0.058641     4.232991
 H     2.683456    -3.889831     3.481301
 H     3.613173    -2.210871     5.062510
 C     2.793982    -0.900073    -0.132262
 H     2.239531    -1.727557    -0.588619

 -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






