%chk=000050167.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000050167

0 1
 Br   1.107100       2.920100      0.3032000    
 O    5.147600      -1.485500     -0.6169000    
 O    5.980200       1.081300      4.8700001E-02
 N  -8.9199997E-02 -0.5649000      0.7838000    
 C   -1.516200     -0.8860000      0.6059000    
 C   -2.232200      0.3973000      0.1084000    
 C   -2.047100      -1.359700       1.965800    
 C   -1.598700      -2.031600     -0.4121000    
 C   0.4871000     -0.1172000     -0.4701000    
 C   -3.727100      0.2964000     -9.0499997E-02
 C    1.944000      0.2335000     -0.3242000    
 C   -4.221900     -9.3999997E-02  -1.323800    
 C   -4.572800      0.5967000      0.9645000    
 C    2.876100     -0.7757000     -0.5348000    
 C    2.351200       1.519200      8.8999998E-03
 C   -5.601500     -0.1868000      -1.507500    
 C   -5.952400      0.5040000      0.7809000    
 C    4.236400     -0.4940000     -0.4102000    
 C   -6.466700      0.1122000     -0.4551000    
 C    3.711500       1.800800      0.1336000    
 C    4.654300      0.7943000     -7.5999998E-02
 C    5.530500      -2.260400      0.5176000    
 H   -2.033200       1.228300      0.8008000    
 H   -1.863300      0.7388000     -0.8632000    
 H   5.5000000E-03  0.1706000       1.484800    
 H   -3.080900      -1.714100       1.896300    
 H   -1.451600      -2.195100       2.354300    
 H   -2.014300     -0.5566000       2.711200    
 H   -2.589300      -2.502000     -0.3789000    
 H  -0.8748000      -2.826000     -0.1924000    
 H   -1.453400      -1.706200      -1.447500    
 H   4.9000001E-03  0.7389000     -0.9397000    
 H   0.4501000     -0.9049000      -1.231400    
 H   -3.559000     -0.3278000      -2.151700    
 H   -4.183200      0.9053000       1.930200    
 H    2.559400      -1.783200     -0.7928000    
 H   -6.002100     -0.4915000      -2.469900    
 H   -6.626300      0.7373000       1.600100    
 H   -7.541000      4.0199999E-02 -0.5981000    
 H    4.042200       2.803700      0.3941000    
 H    6.081100       2.019400      0.2848000    
 H    5.988000      -1.624900       1.282400    
 H    6.265800      -3.002000      0.1936000    
 H    4.664300      -2.784800      0.9334000    


%chk=000050167-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000050167

0 1
Br 1.295396 2.997865 0.243581
O 5.167085 -1.788038 -0.423614
O 6.177249 0.800370 0.389972
N -0.165561 -0.505902 0.528378
C -1.629058 -0.810249 0.432996
C -2.444896 0.478355 -0.003255
C -2.061636 -1.264985 1.846322
C -1.843754 -1.969455 -0.568235
C 0.554833 -0.078427 -0.698160
C -3.953020 0.321688 -0.110920
C 2.016838 0.195594 -0.385263
C -4.561311 -0.104105 -1.322565
C -4.799396 0.604380 0.994896
C 2.964981 -0.854067 -0.474866
C 2.509969 1.455710 0.026758
C -5.961970 -0.258210 -1.422945
C -6.201010 0.453294 0.900675
C 4.337816 -0.680387 -0.202839
C -6.789369 0.017902 -0.309451
C 3.873465 1.674565 0.308470
C 4.797787 0.614951 0.177251
C 6.186892 -2.116527 0.595925
H -2.203350 1.271155 0.732945
H -2.045190 0.812882 -0.980435
H 0.021291 0.143905 1.306637
H -3.135612 -1.515069 1.870443
H -1.478511 -2.153212 2.145433
H -1.880036 -0.467234 2.593702
H -2.892212 -2.311020 -0.541910
H -1.186820 -2.815221 -0.298477
H -1.617947 -1.670664 -1.608706
H 0.117821 0.826907 -1.180460
H 0.498735 -0.898620 -1.435603
H -3.929455 -0.308992 -2.195895
H -4.353569 0.953725 1.934646
H 2.631826 -1.855610 -0.764456
H -6.408074 -0.584910 -2.369414
H -6.833340 0.681289 1.766576
H -7.876530 -0.096210 -0.386169
H 4.219440 2.669717 0.611088
H 6.376016 1.749925 0.583762
H 6.931115 -1.309949 0.689137
H 6.657608 -3.041267 0.229726
H 5.704564 -2.302452 1.574819


