%chk=000004706.chk
%nprocshared=8
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000004706

0 1
 Br   5.249500      -1.335400      -2.136600    
 N    1.190900      0.5899000      0.6391000    
 N   -5.121100      0.6345000     -0.6574000    
 N   -1.597500      -2.457400      0.3774000    
 N   0.6570000      -1.698100      0.7621000    
 N   -3.272500       2.793200     -0.4974000    
 C   -1.095300     -0.1162000      0.2429000    
 C   -1.996400      -1.190700      0.1674000    
 C   -3.759600      0.4061000     -0.3553000    
 C   0.2238000     -0.4418000      0.5459000    
 C   -1.523700       1.204100      2.1500001E-02
 C   -2.857900       1.461800     -0.2776000    
 C   -3.325800     -0.9042000     -0.1337000    
 C    2.571500      0.6195000      0.3864000    
 C  -0.2926000      -2.642300      0.6632000    
 C    3.130100     -0.2241000     -0.5787000    
 C    3.398100       1.493700       1.099000    
 C   -6.172300     -0.2033000     -0.1735000    
 C    4.502100     -0.1937000     -0.8287000    
 C    4.769900       1.524100      0.8490000    
 C    5.321900      0.6805000     -0.1150000    
 H  -0.8317000       2.041300      6.9600001E-02
 H   -4.021600      -1.738200     -0.2021000    
 H   0.8643000       1.389400       1.175000    
 H   -5.375000       1.552700      -1.000400    
 H   2.2600001E-02  -3.665000      0.8311000    
 H   -2.597600       3.543600     -0.4277000    
 H   -4.242900       3.018700     -0.6601000    
 H    2.496700     -0.8988000      -1.150300    
 H    2.982200       2.156500       1.853900    
 H   -6.098300     -0.3598000      0.9078000    
 H   -6.180000      -1.173500     -0.6802000    
 H   -7.139900      0.2696000     -0.3711000    
 H    5.408200       2.204500       1.404900    
 H    6.392700      0.7169000     -0.2978000    


%chk=000004706-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000004706

0 1
Br 5.833471 -2.281387 0.206518
N 1.268641 0.616207 0.080531
N -5.281259 0.786049 -0.141357
N -1.614087 -2.451351 -0.142756
N 0.703711 -1.692185 -0.029049
N -3.526767 2.852569 0.287925
C -1.098095 -0.027302 0.041195
C -2.034741 -1.121217 -0.067295
C -3.922284 0.461617 -0.053343
C 0.308002 -0.394216 0.032261
C -1.610341 1.301303 0.175868
C -2.986715 1.556906 0.150520
C -3.432165 -0.851349 -0.120538
C 2.682670 0.555750 0.129829
C -0.285746 -2.648378 -0.107571
C 3.419656 -0.661628 0.137366
C 3.380327 1.797386 0.175874
C -6.305897 -0.243406 -0.333294
C 4.822056 -0.591420 0.194787
C 4.785976 1.823318 0.230441
C 5.535835 0.622743 0.241722
H -0.943306 2.155230 0.355707
H -4.096705 -1.709065 -0.249749
H 0.896494 1.565957 0.061678
H -5.485285 1.716207 -0.515228
H 0.067106 -3.683687 -0.151385
H -2.881698 3.639218 0.345222
H -4.389927 2.951579 0.825229
H 2.873083 -1.604548 0.093801
H 2.818877 2.740801 0.170025
H -6.284026 -0.964862 0.503097
H -6.174114 -0.812141 -1.278532
H -7.300835 0.231385 -0.346743
H 5.310175 2.784213 0.265688
H 6.627714 0.637805 0.284157


