%chk=000127472.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000127472

0 1
 Br  -6.930700      -1.707500      0.8365000    
 O    1.064400      -1.661900     -0.4296000    
 O   -3.590200      0.4075000     -0.1385000    
 O   -6.897900       1.484300      0.1593000    
 O   -5.046500       2.554700     -0.3549000    
 N    5.056400      0.6378000      6.0899999E-02
 N    1.451100      0.5892000     -0.8637000    
 N   -5.648100       1.487600     -3.7799999E-02
 C    5.432800     -0.6852000     -0.4566000    
 C    5.772900      0.9444000       1.306900    
 C    6.936000     -0.7646000     -0.7278000    
 C    7.287000      0.9182000       1.093500    
 C    7.743100     -0.4179000      0.5179000    
 C    3.610800      0.7131000      0.2703000    
 C    2.874700      0.5092000      -1.045800    
 C   0.6583000     -0.5127000     -0.5682000    
 C  -0.7816000     -0.1472000     -0.4297000    
 C   -1.683700      -1.093600     -0.1292000    
 C   -3.082900     -0.8294000      3.8500000E-02
 C   -4.046800      -1.731100      0.3807000    
 C   -4.924000      0.3004000      9.7000003E-02
 C   -5.254900     -0.9951000      0.4203000    
 H    5.139300      -1.480100      0.2415000    
 H    4.966300     -0.9010000      -1.420700    
 H    5.496100       1.945800       1.658400    
 H    5.501000      0.2341000       2.098900    
 H    7.198900      -1.772700      -1.068200    
 H    7.201200     -7.3899999E-02  -1.538500    
 H    7.575900       1.727700      0.4111000    
 H    7.798300       1.104500       2.044700    
 H    8.810900     -0.3787000      0.2760000    
 H    7.611100      -1.204900       1.270500    
 H    3.343400       1.700700      0.6681000    
 H    3.277300     -2.5800001E-02   1.011300    
 H    3.062100     -0.4661000      -1.499500    
 H    3.152200       1.282500      -1.770800    
 H    1.022100       1.506000     -0.9518000    
 H   -1.064200      0.8909000     -0.5710000    
 H   -1.365400      -2.123800      1.0200000E-02
 H   -3.910500      -2.785600      0.5791000    


%chk=000127472-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000127472

0 1
Br -7.084488 -1.965571 0.372746
O 1.090440 -1.459214 -0.803294
O -3.671112 0.382316 -0.003414
O -7.093500 1.266627 0.553302
O -5.193999 2.551262 0.350489
N 5.096543 0.496851 0.129107
N 1.419290 0.852131 -0.769488
N -5.816020 1.416049 0.375130
C 5.413434 -0.948660 -0.017197
C 5.996286 1.157905 1.108402
C 6.869069 -1.153028 -0.482056
C 7.471126 1.020202 0.677060
C 7.853158 -0.466880 0.493138
C 3.660565 0.743145 0.372795
C 2.873025 0.758776 -0.967546
C 0.621737 -0.280327 -0.682196
C -0.827064 -0.005979 -0.449589
C -1.711581 -1.047146 -0.375932
C -3.127784 -0.916236 -0.157840
C -4.157861 -1.858783 -0.057653
C -5.047906 0.219327 0.192760
C -5.377953 -1.141656 0.164874
H 5.260003 -1.484095 0.957112
H 4.713350 -1.398733 -0.743821
H 5.718408 2.226933 1.171414
H 5.873909 0.719484 2.134648
H 7.081998 -2.236947 -0.553484
H 6.985765 -0.720157 -1.494405
H 7.611082 1.558077 -0.280615
H 8.121783 1.501236 1.432665
H 8.892455 -0.556917 0.124675
H 7.812566 -0.980456 1.476422
H 3.546947 1.725018 0.871253
H 3.202545 -0.022668 1.043688
H 3.065947 -0.177220 -1.517553
H 3.219328 1.605001 -1.585782
H 0.994278 1.772607 -0.643764
H -1.174106 1.029695 -0.340725
H -1.315043 -2.063882 -0.491464
H -4.050420 -2.938287 -0.134560


