%mem=10GB
%nprocshared=7
#p b3lyp/gen scrf=(smd,solvent=toluene) 5D 7F nosymm empiricaldispersion=gd3 int(acc2e=11,grid=ultrafine) scf(MaxCycle=256)

Title

0 1
 C         -4.701873   -4.792422   -0.741503
 C         -4.618240   -5.213991    0.571959
 C         -4.415226   -4.264928    1.599994
 C         -4.292091   -2.908323    1.207798
 C         -4.578137   -3.417746   -1.026241
 C         -4.341401   -4.603800    2.992647
 C         -4.095064   -1.886273    2.206649
 C         -4.056067   -2.251365    3.574828
 C         -4.174226   -3.635982    3.938632
 C         -3.909920   -1.214215    4.522703
 H         -3.876091   -1.456819    5.581332
 C         -3.827924    0.093970    4.090148
 C         -3.868169    0.362929    2.711650
 H         -4.433989   -5.647923    3.278758
 H         -4.865634   -5.497718   -1.549668
 H         -4.714885   -6.265911    0.827454
 H         -4.647263   -3.035566   -2.041438
 H         -4.132526   -3.894551    4.993117
 H         -3.731438    0.918090    4.788439
 H         -3.815274    1.379128    2.344820
 N         -3.975488   -0.594065    1.795571
 N         -4.375420   -2.512073   -0.081894
Cu         -4.200452   -0.272105   -0.215933
Br         -6.500225    0.681496    0.142670
 C         -4.088257   -0.057862   -2.027682
 C         -4.267263   -0.066301   -3.238987
 C         -4.495949   -0.057880   -4.645602
 C         -3.910708   -1.036934   -5.476239
 C         -5.305434    0.934846   -5.237309
 C         -4.128514   -1.019828   -6.852060
 H         -3.285856   -1.805011   -5.028844
 C         -5.515054    0.946006   -6.614345
 H         -5.766212    1.686521   -4.603244
 C         -4.929441   -0.029052   -7.427607
 H         -3.670834   -1.781620   -7.478056
 H         -6.141729    1.717166   -7.054788
 H         -5.097629   -0.017937   -8.501127
 C         -2.137031    0.290907   -0.809161
 C         -2.125938    1.370733    0.264478
 C         -1.461662   -1.003452   -0.400530
 C         -1.541929    0.844419   -2.103367
 O         -1.376938    1.275524    1.235330
 N         -2.954751    2.436075    0.023591
 H         -1.730767   -1.318951    0.607280
 H         -1.722552   -1.794906   -1.107407
 H         -0.371518   -0.866219   -0.429145
 H         -2.070881    1.718123   -2.485841
 H         -0.507457    1.147060   -1.875344
 H         -1.511751    0.084366   -2.885447
 H         -3.603182    2.318432   -0.748234
 C         -3.167700    3.588815    0.809400
 C         -4.264367    4.398361    0.467695
 C         -2.346406    3.950943    1.889569
 C         -4.536354    5.553298    1.195089
 H         -4.908208    4.109031   -0.359191
 C         -2.636149    5.111765    2.609735
 H         -1.502598    3.330367    2.155033
 C         -3.724113    5.918195    2.272645
 H         -5.390904    6.165318    0.919996
 H         -1.995048    5.385283    3.443873
 H         -3.938612    6.818722    2.841105

H     0
S    3   1.00
     34.0613410              0.60251978D-02
      5.1235746              0.45021094D-01
      1.1646626              0.20189726
S    1   1.00
      0.32723041             1.0000000
S    1   1.00
      0.10307241             1.0000000
P    1   1.00
      1.40700000             1.0000000
P    1   1.00
      0.38800000             1.0000000
P    1   1.00
      0.95774129632D-01      1.0000000
D    1   1.00
      1.05700000             1.0000000
****
C     0
S    6   1.00
  13575.3496820              0.22245814352D-03
   2035.2333680              0.17232738252D-02
    463.22562359             0.89255715314D-02
    131.20019598             0.35727984502D-01
     42.853015891            0.11076259931
     15.584185766            0.24295627626
S    2   1.00
      6.2067138508           0.41440263448
      2.5764896527           0.23744968655
S    1   1.00
      0.57696339419          1.0000000
S    1   1.00
      0.22972831358          1.0000000
S    1   1.00
      0.95164440028D-01      1.0000000
S    1   1.00
      0.48475401370D-01      1.0000000
P    4   1.00
     34.697232244            0.53333657805D-02
      7.9582622826           0.35864109092D-01
      2.3780826883           0.14215873329
      0.81433208183          0.34270471845
P    1   1.00
      0.28887547253           .46445822433
P    1   1.00
      0.10056823671           .24955789874
D    1   1.00
      1.09700000             1.0000000
D    1   1.00
      0.31800000             1.0000000
D    1   1.00
      0.90985336424D-01      1.0000000
F    1   1.00
      0.76100000             1.0000000
****
N     0
S    6   1.00
  19730.8006470              0.21887984991D-03
   2957.8958745              0.16960708803D-02
    673.22133595             0.87954603538D-02
    190.68249494             0.35359382605D-01
     62.295441898            0.11095789217
     22.654161182            0.24982972552
S    2   1.00
      8.9791477428           0.40623896148
      3.6863002370           0.24338217176
S    1   1.00
      0.84660076805          1.0000000
S    1   1.00
      0.33647133771          1.0000000
S    1   1.00
      0.13647653675          1.0000000
S    1   1.00
      0.68441605847D-01      1.0000000
P    4   1.00
     49.200380510            0.55552416751D-02
     11.346790537            0.38052379723D-01
      3.4273972411           0.14953671029
      1.1785525134           0.34949305230
P    1   1.00
      0.41642204972           .45843153697
P    1   1.00
      0.14260826011           .24428771672
D    1   1.00
      1.65400000             1.0000000
D    1   1.00
      0.46900000             1.0000000
D    1   1.00
      0.12829642058          1.0000000
F    1   1.00
      1.09300000             1.0000000
****
O     0
S    6   1.00
  27032.3826310              0.21726302465D-03
   4052.3871392              0.16838662199D-02
    922.32722710             0.87395616265D-02
    261.24070989             0.35239968808D-01
     85.354641351            0.11153519115
     31.035035245            0.25588953961
S    2   1.00
     12.260860728            0.39768730901
      4.9987076005           0.24627849430
S    1   1.00
      1.1703108158           1.0000000
S    1   1.00
      0.46474740994          1.0000000
S    1   1.00
      0.18504536357          1.0000000
S    1   1.00
      0.70288026270D-01      1.0000000
P    4   1.00
     63.274954801            0.60685103418D-02
     14.627049379            0.41912575824D-01
      4.4501223456           0.16153841088
      1.5275799647           0.35706951311
P    1   1.00
      0.52935117943           .44794207502
P    1   1.00
      0.17478421270           .24446069663
P    1   1.00
      0.51112745706D-01      1.0000000
D    1   1.00
      2.31400000             1.0000000
D    1   1.00
      0.64500000             1.0000000
D    1   1.00
      0.14696477366          1.0000000
F    1   1.00
      1.42800000             1.0000000
****
Cu     0
S    8   1.00
 377518.7992300              0.22811766128D-03
  56589.9843110              0.17688035931D-02
  12878.7117060              0.91993460227D-02
   3645.3752143              0.37411016434D-01
   1187.0072945              0.12189873737
    426.46421902             0.28983900714
    165.70660164             0.41531872174
     65.598942707            0.21905799287
S    4   1.00
    414.41265811            -0.24682525053D-01
    128.32056039            -0.11716827406
     20.622089750            0.55301315941
      8.7821226045           0.52242718609
S    2   1.00
     13.741372006           -0.22736061821
      2.2431246833           0.71761210873
S    1   1.00
      0.89370549079          1.0000000
S    1   1.00
      0.10836699534          1.0000000
S    1   1.00
      0.38806178058D-01      1.0000000
P    6   1.00
   2034.7596692              0.23524822298D-02
    481.90468106             0.19134070751D-01
    154.67482963             0.90171105278D-01
     57.740576969            0.26063284735
     23.099052811            0.42093485770
      9.3882478591           0.24344615121
P    3   1.00
     37.596171210           -0.28991094530D-01
      5.1240690810           0.54919083831
      2.0119996085           0.93793330488
P    1   1.00
      0.73860686002          1.0000000
P    1   1.00
      0.2711000              1.0000000
P    1   1.00
      0.0995400              1.0000000
P    1   1.00
      0.34015997020D-01      1.0000000
D    4   1.00
     74.129460637            0.14363216676D-01
     21.359842587            0.86628177096D-01
      7.4995240537           0.25631430541
      2.7601394169           0.40374062368
D    1   1.00
      0.95362061236           .39427042447
D    1   1.00
      0.28420862520           .23091146816
D    1   1.00
      0.0850000              1.0000000
F    1   1.00
      4.9360000              1.0000000
F    1   1.00
      1.2090000              1.0000000
G    1   1.00
      3.2450000              1.0000000
****
Br     0
S    8   1.00
 565073.2525600              0.23660314690D-03
  84701.7231790              0.18348332508D-02
  19276.2719000              0.95465849860D-02
   5456.4284576              0.38877142153D-01
   1776.9503500              0.12718314231
    639.19398276             0.30437662191
    248.78823961             0.44490940497
     98.678305494            0.24381643058
S    4   1.00
    606.07824568            -0.26527158709D-01
    188.45598484            -0.12484584809
     31.497144506            0.56468683559
     13.736008320            0.55555268564
S    2   1.00
     21.203212766           -0.24940920493
      3.7616420178           0.71213119743
S    1   1.00
      1.7735933962           1.0000000
S    1   1.00
      0.45197413664          1.0000000
S    1   1.00
      0.16613377099          1.0000000
S    1   1.00
      0.52769579657D-01      1.0000000
P    6   1.00
   3019.6955723              0.24971049798D-02
    715.35481126             0.20419267596D-01
    229.98328751             0.96897148309D-01
     86.167844615            0.28053901252
     34.667870802            0.44606390473
     14.113870307            0.24410073923
P    4   1.00
     57.085653082           -0.21855950710D-01
      8.8193845840           0.32707075320
      3.9340302872           0.57855229520
      1.7998830384           0.33570987698
P    1   1.00
      0.66899410512          1.0000000
P    1   1.00
      0.27136238231          1.0000000
P    1   1.00
      0.10083790243          1.0000000
P    1   1.00
      0.29005224647D-01      1.0000000
D    5   1.00
    168.85370257             0.89663981988D-02
     49.977949919            0.62062059316D-01
     18.274913338            0.21474732384
      7.2455694631           0.40335336746
      2.8562315025           0.42208813080
D    1   1.00
      1.0459621144            .17874813267
D    1   1.00
      0.56865655             1.0000000
D    1   1.00
      0.22031490             1.0000000
D    1   1.00
      0.75865567476D-01      1.0000000
F    1   1.00
      0.57083312             1.0000000
****






