%nproc=24
%mem=122200MB
#p b3lyp/gen opt=(ts,calcfc,noeigentest,maxstep=3) freq empiricaldispersion=GD3 nosymm scrf=(SMD,solvent=toluene) pseudo=(read)

Title Card Required

0 1
 Cu      4.1361240      3.4445910      2.7855090
 N      4.7644070      5.4198620      2.1092090
 C      4.1465880      6.5678590      1.7571520
 C      6.2530390      6.7065660      1.0460210
 C      5.0550250      7.4181290      1.0754220
 H      7.2292920      6.9538210      0.6364700
 H      4.8578900      8.4091030      0.6758180
 N      5.2300160      2.6963480      1.0545340
 C      5.0485270      1.7645030      0.0940490
 C      6.2504900      1.5943760      -0.643704
 C      7.1497630      2.4933420      -0.074885
 H      6.4203670      0.9248390      -1.482118
 H      8.1823940      2.7315350      -0.317420
 N      6.0324510      3.3617120      3.9134220
 C      6.3480960      3.1980230      5.2136270
 C      7.6747290      3.6413020      5.4499550
 C      8.1295240      4.0764680      4.2038430
 H      8.2202510      3.6279520      6.3901160
 H      9.0837460      4.4919260      3.8888560
 N      6.0515940      5.5147720      1.6701390
 N      7.1240920      3.8949120      3.3035220
 N      6.5151360      3.1389360      0.9416880
 H      8.1431750      4.6555830      1.4174790
 C      2.6406520      2.6598010      3.8390890
 C      1.8498460      1.4909610      3.3327710
 O      2.3923830      0.3671820      3.2929580
 C      -0.271395      0.7083570      2.2924420
 B      7.0472710      4.3189170      1.8105390
 C      3.7303870      1.1272300      -0.142133
 C      2.5767120      1.9265560      -0.374502
 C      3.6260700      -0.291271      -0.193167
 C      1.3532540      1.2919010      -0.665475
 C      2.3808010      -0.880279      -0.476194
 C      1.2306900      -0.106334      -0.720993
 H      0.4715900      1.9120880      -0.852704
 H      2.3066730      -1.972051      -0.493678
 C      5.3490980      2.6013740      6.1349930
 C      4.9439660      1.2520150      5.9456150
 C      4.7541710      3.3889600      7.1522130
 C      3.9491480      0.7160700      6.7832030
 C      3.7514420      2.8166230      7.9614720
 C      3.3358280      1.4828610      7.7936550
 H      3.6329570      -0.319978      6.6296980
 H      3.2808390      3.4313060      8.7348960
 C      2.7256370      6.8290240      2.0952500
 C      2.3038200      6.8624330      3.4541700
 C      1.7912690      7.0939920      1.0587610
 C      0.9688900      7.1973770      3.7462610
 C      0.4554650      7.3917390      1.3967700
 C      0.0254360      7.4599200      2.7334240
 H      0.6546010      7.2372800      4.7938490
 H      -0.262881      7.5790890      0.5930840
 C      2.6103430      3.4419900      -0.321237
 H      3.5295380      3.8492140      -0.768646
 H      2.5874720      3.7995710      0.7212680
 H      1.7386560      3.8647190      -0.845535
 C      4.8193160      -1.187104      0.0851670
 H      5.3875660      -0.834425      0.9608700
 H      5.5215000      -1.210689      -0.765513
 H      4.4864120      -2.219970      0.2753760
 C      -0.105740      -0.766988      -0.988142
 H      -0.012774      -1.578417      -1.729930
 H      -0.843632      -0.038491      -1.361040
 H      -0.512002      -1.216053      -0.064117
 C      5.1587450      4.8354430      7.3664430
 H      5.2433200      5.3747250      6.4104070
 H      6.1418400      4.9078020      7.8635410
 H      4.4225580      5.3544660      8.0007830
 C      5.5312680      0.4061770      4.8340920
 H      6.6306010      0.4895180      4.8036540
 H      5.1520720      0.7379450      3.8548120
 H      5.2563230      -0.651945      4.9666740
 C      2.2614830      0.8780000      8.6755410
 H      2.6836500      0.1019580      9.3386810
 H      1.4761780      0.3923090      8.0709820
 H      1.7881790      1.6445020      9.3103310
 C      2.1938210      7.0632740      -0.403556
 H      2.8992620      6.2454790      -0.612262
 H      2.6923470      8.0027630      -0.699423
 H      1.3063760      6.9389530      -1.044502
 C      3.2489210      6.5156000      4.5869920
 H      4.2103390      7.0451300      4.4887930
 H      3.4864090      5.4390780      4.5824400
 H      2.7999080      6.7698700      5.5599100
 C      -1.409798      7.7962220      3.0839470
 H      -2.018699      7.9366020      2.1766160
 H      -1.466395      8.7233660      3.6811100
 H      -1.870953      6.9954860      3.6885390
 H      2.9164430      2.5135480      4.8914410
 N      0.5620610      1.7338430      2.9257180
 C      0.0368870      3.0885660      3.0868130
 C      0.7898100      3.7270580      4.2336100
 H      2.0320740      3.7557800      3.8085620
 H      0.6514240      3.2556740      5.2102840
 H      0.7477900      4.8224820      4.2721880
 H      -1.040121      3.0432600      3.3152800
 C      -1.319255      0.1352640      3.2594610
 H      -1.979546      0.9292590      3.6472150
 H      -1.946502      -0.607018      2.7370440
 H      -0.827050      -0.360181      4.1121290
 H      0.3967770      -0.080766      1.9286360
 H      0.1708940      3.6761300      2.1598250
 H      -0.761601      1.1635330      1.4172080

-H -B -C -N -O 0
6-31+g(d,p)
****
-Cu 0
SDD
*****

-Cu 0
SDD


