%chk=000086389.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000086389

0 1
 Br  -1.038200      -2.478100      -1.613000    
 Br -0.4945000       1.308900       2.707700    
 S    3.069000      -2.056800      0.2487000    
 F    2.822500       2.385200     -0.6553000    
 F    4.646000       2.459300      0.5167000    
 F    4.740500       2.009600      -1.608800    
 F   -4.939000       1.178200      -1.212200    
 F   -6.831000       1.077000     -0.1234000    
 F   -6.162200     -0.6615000      -1.266100    
 O   -5.083100     -0.1083000      0.6731000    
 O    1.072100      0.9268000      -1.008400    
 N   0.4331000     -0.7171000      0.5126000    
 N    5.058000     -0.4230000      8.8000000E-03
 C    2.765900     -0.4278000     -9.1899998E-02
 C    3.897400      0.2996000     -0.1878000    
 C  -0.9590000     -0.5634000      0.5531000    
 C    1.368200      1.1400000E-02 -0.2434000    
 C    4.742500      -1.676800      0.2466000    
 C   -1.765700      -1.279500     -0.3313000    
 C   -1.538100      0.3058000       1.477600    
 C   -3.730800     -0.2575000      0.6336000    
 C    4.021400       1.744100     -0.4729000    
 C   -3.151600      -1.126600     -0.2909000    
 C   -2.923900      0.4587000       1.517800    
 C    5.723800      -2.752900      0.5045000    
 C   -5.743300      0.3647000     -0.4956000    
 H   0.7883000      -1.479900       1.085200    
 H   -3.785800      -1.687900     -0.9729000    
 H   -3.388700       1.133300       2.233300    
 H    5.570500      -3.196000       1.493800    
 H    5.647800      -3.543300     -0.2493000    
 H    6.744500      -2.358000      0.4711000    


%chk=000086389-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000086389

0 1
Br -1.174882 -2.942681 -0.721210
Br -0.417691 2.255446 1.833243
S 3.102375 -2.213556 -0.227568
F 3.047479 2.232865 1.171219
F 5.272575 1.899123 1.410015
F 4.430687 2.435121 -0.621459
F -5.845078 -0.517678 -1.765489
F -7.285591 0.525386 -0.350505
F -6.223818 -1.376082 0.300575
O -5.103586 0.670702 0.110262
O 1.190210 1.111285 -0.847285
N 0.420253 -0.576814 0.586251
N 5.162627 -0.576785 0.183841
C 2.795492 -0.453796 0.055787
C 4.006167 0.205406 0.248520
C -0.968750 -0.278881 0.468686
C 1.416694 0.116241 -0.111281
C 4.913950 -1.848723 -0.051272
C -1.866349 -1.225721 -0.095108
C -1.525727 0.949963 0.925085
C -3.729411 0.264651 0.197912
C 4.183186 1.672561 0.542580
C -3.246370 -0.985411 -0.234793
C -2.894967 1.236629 0.775267
C 5.928199 -2.939698 -0.191466
C -6.077546 -0.154690 -0.412434
H 0.690835 -1.404541 1.125089
H -3.894494 -1.743745 -0.676529
H -3.319162 2.184092 1.114006
H 5.785085 -3.727748 0.569634
H 5.871835 -3.419204 -1.185166
H 6.932371 -2.505518 -0.065409


