%chk=000063444.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000063444

0 1
 Br  -5.666200      -2.220600     -9.9999998E-03
 O  -0.2605000      -1.888300      0.1846000    
 N   0.3748000      0.3801000      0.1832000    
 N   -1.319200       2.046900      7.0400000E-02
 C    1.772000      4.3900002E-02  0.1630000    
 C    2.443600     -0.1096000      -1.044100    
 C  -7.0900001E-02   1.703800      0.1588000    
 C  -0.5425000     -0.6922000      0.1840000    
 C   -1.968200     -0.3090000      0.1137000    
 C   -2.294100       1.044900      3.5000000E-02
 C    2.437800     -0.1244000       1.371700    
 C    3.799700     -0.4360000      -1.042900    
 C    4.474900     -0.6064000      0.1658000    
 C    3.794000     -0.4506000       1.373100    
 C    1.745700      6.7100003E-02  -2.353500    
 C   -2.969900      -1.287000      0.1005000    
 C   0.9176000       2.843500      0.2987000    
 C   -3.641300       1.413300     -5.7300001E-02
 C    5.924900     -0.9553000      0.1676000    
 C   -4.308000     -0.9066000      8.8999998E-03
 C   -4.644100      0.4427000     -7.1099997E-02
 H    1.916000     -5.4000001E-03   2.317500    
 H    4.335200     -0.5604000      -1.981100    
 H    4.308000     -0.5825000       2.321500    
 H    2.422800     -9.2000000E-02  -3.200000    
 H   0.9283000     -0.6542000      -2.454700    
 H    1.346800       1.082100      -2.446300    
 H   -2.712000      -2.341700      0.1588000    
 H    1.646800       2.809400     -0.5148000    
 H    1.445500       2.757100       1.252400    
 H   0.4036000       3.808700      0.2674000    
 H   -3.918500       2.463300     -0.1154000    
 H    6.050000      -2.041100      0.1095000    
 H    6.441400     -0.4952000     -0.6817000    
 H    6.419100     -0.5945000       1.076000    
 H   -5.682100      0.7573000     -0.1431000    


%chk=000063444-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000063444

0 1
Br -5.769265 -2.227851 -0.185330
O -0.168724 -1.877325 -0.187604
N 0.342092 0.402148 0.101562
N -1.365039 2.101350 0.244069
C 1.765248 0.073241 0.118095
C 2.453578 -0.171247 -1.099463
C -0.087081 1.745711 0.219439
C -0.581852 -0.692095 -0.040442
C -2.000084 -0.287536 0.006418
C -2.340407 1.094254 0.149680
C 2.428152 -0.004316 1.359474
C 3.834942 -0.471963 -1.020422
C 4.528558 -0.550091 0.214016
C 3.803598 -0.309687 1.408643
C 1.733803 -0.137431 -2.432555
C -3.011728 -1.277854 -0.094602
C 0.968307 2.820911 0.311674
C -3.714178 1.463768 0.191761
C 6.001735 -0.916093 0.255104
C -4.352101 -0.878123 -0.048126
C -4.718050 0.487567 0.094862
H 1.861308 0.163174 2.281983
H 4.383749 -0.660490 -1.951853
H 4.313341 -0.369436 2.377091
H 2.446922 -0.201460 -3.271165
H 1.035564 -0.991654 -2.510295
H 1.135293 0.783844 -2.560100
H -2.712566 -2.324029 -0.205175
H 1.691242 2.755946 -0.520982
H 1.551485 2.741246 1.246297
H 0.460435 3.795422 0.287383
H -3.963288 2.523076 0.301109
H 6.133241 -2.015396 0.273682
H 6.540287 -0.537764 -0.631579
H 6.495965 -0.511227 1.155285
H -5.773482 0.772512 0.128165


