%mem=120GB
%nproc=32
#p SCRFDef=AsymmetricIEFPCM opt=CalcFC B3LYP/genecp freq=NoRaman scrf=(smd,solvent=Dichloromethane) EmpiricalDispersion=GD3 SCF=XQC

Title Card Required

0 3
29           -1.066653    0.111881   -0.483577
 7            0.859167   -0.768623   -1.220750
 7            1.971808   -0.356321   -0.550150
 7           -0.094867    1.911201   -0.722652
 7            1.166215    2.004783   -0.204248
 7           -0.382889    0.251822    1.554331
 7            0.970289    0.350510    1.688859
 5            1.852970    0.782782    0.482031
 6            1.259342   -1.628822   -2.150446
 6            2.656732   -1.809271   -2.095820
 6            3.065261   -0.974673   -1.059822
 6           -0.399047    3.094899   -1.254245
 6            0.672083    3.993217   -1.095474
 6            1.642435    3.253067   -0.422870
 6           -0.886533    0.014293    2.766029
 6            0.146493   -0.077222    3.718803
 6            1.309556    0.148829    2.983779
 1            2.924731    1.093688    0.870681
 7           -2.351294   -1.326935   -0.186444
16           -3.196582   -1.159949   -1.560941
 8           -3.354019   -2.343587   -2.419348
 8           -2.452439    0.039486   -2.130752
 6           -4.820548   -0.586540   -1.097832
 6           -5.956153   -1.236713   -1.574812
 6           -4.918732    0.509309   -0.231072
 6           -7.213049   -0.774581   -1.179054
 1           -5.856828   -2.088407   -2.238497
 6           -6.177896    0.955570    0.150325
 1           -4.022980    0.988085    0.148527
 6           -7.344573    0.320518   -0.315347
 1           -8.103605   -1.276276   -1.546904
 1           -6.263108    1.805468    0.822422
 6           -8.699068    0.814248    0.124371
 1           -8.820455    1.879323   -0.103640
 1           -9.507523    0.264694   -0.364926
 1           -8.819716    0.703360    1.208604
 6           -2.199756   -2.635094    0.503037
 6           -1.300419   -3.605127   -0.212000
 1           -1.735223   -4.122659   -1.060298
 6           -3.517547   -3.227074    0.776765
 6           -4.609995   -3.704055    0.977798
35           -2.742730   -0.098996    3.073999
35           -2.063011    3.420552   -2.070270
35            0.031970   -2.402150   -3.343007
35            3.726233   -2.915809   -3.177115
35            4.810404   -0.705963   -0.410689
35            3.082437    0.168990    3.609267
35           -0.004631   -0.416075    5.563432
35            0.771022    5.784988   -1.661225
35            3.350241    3.827950    0.115997
 1           -1.759408   -2.367196    1.465959
 6            0.061030   -3.831396    0.099247
 6            0.766728   -3.138872    1.127657
 6            0.799451   -4.784540   -0.665433
 6            2.113494   -3.380125    1.359521
 6            2.143051   -5.021919   -0.419760
 6            2.815315   -4.320539    0.592180
 1            0.255776   -2.399627    1.732267
 1            0.288415   -5.324950   -1.457170
 1            2.627723   -2.829823    2.142463
 1            2.678396   -5.751142   -1.020844
 1            3.869780   -4.501026    0.777294
 1           -5.573612   -4.131420    1.154077

-Cu 0
LANL2DZ
****
-Br 0
LANL2DZ
P 1 1.000
0.03760 1.000
D 1 1.000
0.43400 1.000
****
-C N H B O S 0
6-31G(d,p)
****

Cu Br 0
LANL2DZ





