%chk=000050187.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000050187

0 1
 Br   4.164900       3.729200      0.2200000    
 O    2.569800      -2.039100     -0.6215000    
 O    5.241300      -1.350200     -0.4227000    
 N  -8.0499999E-02 -0.4006000      0.8516000    
 C   -1.510800     -0.7251000      0.7095000    
 C   -2.215100      0.5045000      7.7699997E-02
 C   -2.044300      -1.045400       2.112500    
 C   -1.605600      -1.972200     -0.1801000    
 C   0.4984000     -9.5299996E-02 -0.4432000    
 C   -3.711200      0.3974000     -0.1087000    
 C    1.958800      0.2549000     -0.3362000    
 C   -4.211300     -0.1180000      -1.293000    
 C   -4.552500      0.8170000      0.9083000    
 C    2.926100     -0.7366000     -0.4317000    
 C    2.316000       1.583000     -0.1426000    
 C   -5.592000     -0.2166000      -1.465300    
 C   -5.933200      0.7185000      0.7362000    
 C    4.274700     -0.3943000     -0.3318000    
 C   -6.452900      0.2017000     -0.4507000    
 C    3.664500       1.925400     -4.2700000E-02
 C    4.643900      0.9368000     -0.1373000    
 C    5.651000      -1.975000      0.7921000    
 H   -2.005200       1.404200      0.6746000    
 H   -1.841100      0.7312000     -0.9258000    
 H   2.4700001E-02  0.4021000       1.472700    
 H   -3.081600      -1.395100       2.081700    
 H   -1.456400      -1.840300       2.587900    
 H   -2.002600     -0.1676000       2.767800    
 H   -2.598500      -2.430200     -9.1300003E-02
 H  -0.8847000      -2.743100      0.1193000    
 H   -1.465400      -1.761200      -1.245200    
 H   4.6599999E-02  0.7718000     -0.9317000    
 H   0.4187000     -0.9181000      -1.160100    
 H   -3.551900     -0.4453000      -2.091500    
 H   -4.158700       1.223400       1.835300    
 H    1.550300       2.351500     -6.6200003E-02
 H   -5.996700     -0.6185000      -2.389500    
 H   -6.603700       1.044700       1.525900    
 H   -7.528000      0.1253000     -0.5849000    
 H    5.697800       1.194400     -6.1400000E-02
 H    3.378000      -2.573500     -0.7071000    
 H    6.110700      -1.241300       1.461700    
 H    6.393100      -2.740600      0.5500000    
 H    4.801900      -2.455200       1.288700    


%chk=000050187-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000050187

0 1
Br 4.859022 3.447884 0.482091
O 2.286412 -2.082542 -0.421845
O 4.876635 -1.970691 0.178336
N -0.174994 -0.039809 0.670150
C -1.605370 -0.463686 0.611560
C -2.497718 0.675080 -0.041026
C -2.037888 -0.714886 2.075154
C -1.719093 -1.783683 -0.188122
C 0.559759 0.232014 -0.585544
C -3.982338 0.380265 -0.182632
C 2.049053 0.337595 -0.299456
C -4.499232 -0.232640 -1.355691
C -4.897328 0.714459 0.852009
C 2.845856 -0.822789 -0.195265
C 2.661431 1.603324 -0.102031
C -5.876892 -0.517198 -1.485808
C -6.276304 0.432950 0.727862
C 4.231073 -0.718631 0.117609
C -6.772734 -0.187625 -0.442012
C 4.029908 1.683137 0.208886
C 4.840421 0.533741 0.327790
C 6.306297 -1.988329 0.494458
H -2.356543 1.584491 0.577891
H -2.072527 0.891597 -1.040671
H -0.021684 0.698989 1.369982
H -3.093877 -1.028884 2.126995
H -1.406415 -1.504793 2.517490
H -1.922654 0.201430 2.688014
H -2.729472 -2.212908 -0.078067
H -0.973807 -2.504383 0.190307
H -1.538574 -1.637523 -1.269141
H 0.232903 1.162595 -1.110100
H 0.385712 -0.614185 -1.271205
H -3.814159 -0.483113 -2.175289
H -4.524403 1.207619 1.758463
H 2.059594 2.512189 -0.198427
H -6.252309 -0.988217 -2.401666
H -6.963198 0.703541 1.538154
H -7.842380 -0.403637 -0.542285
H 5.901850 0.622087 0.569442
H 2.998667 -2.765702 -0.298150
H 6.886307 -1.438422 -0.270918
H 6.594320 -3.049457 0.489822
H 6.493974 -1.552657 1.494183


