%chk=000005278.chk
%nprocshared=8
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000005278

0 1
 Br  -5.856800     -0.2742000      -2.227000    
 F   -2.367600      -1.803500       1.334600    
 O   0.1500000       2.895900      0.5670000    
 O    2.400700      -4.278200     -0.2761000    
 O    1.222200      -2.670400      -1.376400    
 N   9.4999997E-03  0.6629000       1.181600    
 N   0.5534000     -0.5870000       1.218600    
 C    2.512100      0.2633000      4.1499998E-02
 C    1.958100       1.537800      4.6000001E-03
 C   -1.300700      0.7700000       1.802100    
 C    1.718800     -0.7927000      0.6927000    
 C   0.6318000       1.765600      0.6053000    
 C   -2.409000      0.5137000      0.8224000    
 C    2.274600      -2.195700      0.7611000    
 C    3.768800      2.9400000E-02 -0.5244000    
 C    2.656200       2.590100     -0.5985000    
 C    4.465000       1.079100      -1.126000    
 C    3.910100       2.356900      -1.163100    
 C   -2.886100     -0.7793000      0.6428000    
 C   -2.947300       1.574900      0.1037000    
 C   -3.915900      -1.014700     -0.2682000    
 C   -3.977200       1.339600     -0.8072000    
 C    1.890900      -3.028400     -0.4182000    
 C   -4.461500      4.4900000E-02 -0.9931000    
 H   -1.412200       1.773900       2.231000    
 H   -1.357000      7.4100003E-02   2.648900    
 H    1.851500      -2.673500       1.654500    
 H    3.359100      -2.195000      0.8888000    
 H    4.233600     -0.9501000     -0.5338000    
 H    2.242500       3.593900     -0.6392000    
 H    5.440100      0.8988000      -1.569700    
 H    4.453800       3.171300      -1.632800    
 H   -2.583400       2.588800      0.2413000    
 H   -4.281300      -2.029600     -0.4012000    
 H   -4.392100       2.176400      -1.363400    
 H    2.168300      -4.856400      -1.033700    


%chk=000005278-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000005278

0 1
Br -6.094565 -0.246078 -2.173365
F -2.915081 -1.624673 1.855317
O 0.030385 2.908015 0.601737
O 2.901777 -4.229183 -0.468302
O 1.712412 -2.628700 -1.662345
N 0.016237 0.643963 1.195564
N 0.536531 -0.638246 1.225774
C 2.513180 0.206657 0.045999
C 1.954571 1.525060 0.020033
C -1.320315 0.785625 1.837943
C 1.731702 -0.852869 0.670939
C 0.622737 1.781419 0.601761
C -2.471129 0.551255 0.871190
C 2.215442 -2.283540 0.753161
C 3.800791 -0.003401 -0.528113
C 2.667944 2.597694 -0.572489
C 4.500569 1.066095 -1.109285
C 3.935109 2.371342 -1.133713
C -3.226002 -0.639918 0.894331
C -2.841905 1.521758 -0.094890
C -4.293385 -0.908264 0.019959
C -3.905250 1.299827 -0.997116
C 2.226464 -3.004033 -0.590699
C -4.616072 0.082508 -0.927692
H -1.367926 1.811827 2.237007
H -1.348240 0.054705 2.658979
H 1.532177 -2.841820 1.418655
H 3.224166 -2.361591 1.198347
H 4.247738 -1.002675 -0.523807
H 2.202014 3.588087 -0.574990
H 5.488319 0.894688 -1.550581
H 4.489626 3.196909 -1.591829
H -2.274336 2.457496 -0.134489
H -4.838946 -1.852011 0.089746
H -4.173658 2.059492 -1.735520
H 2.859916 -4.714821 -1.336714


