%chk=000163772.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000163772

0 1
 Br   2.741100       2.689300      -1.586500    
 F   -1.178300      0.6761000      -1.385900    
 F  -0.9811000       1.845700       1.066500    
 F   -1.766900      6.2199999E-02   2.036900    
 F   -1.745100      -1.980300      -1.604000    
 F   -2.205700      -2.109800      0.5200000    
 F   -3.664200       1.950000       1.662300    
 F   -3.202400       2.079400     -0.4601000    
 F   -4.425200      -1.853000     -0.9981000    
 F   -3.631700     -7.2499998E-02  -1.965200    
 F   -5.371700      0.5291000      2.4499999E-02
 F   -4.254200     -0.6860000       1.442500    
 O   0.2763000      -1.655800      0.6783000    
 O    7.070200      -1.350000      0.8555000    
 O    7.415600      0.5585000     -0.1729000    
 N    1.104700      0.2901000     -0.3530000    
 N    6.643200     -0.3246000      0.2719000    
 C   -1.243400     -9.5700003E-02 -0.2627000    
 C   -1.783600      0.7699000      0.8769000    
 C   -2.190600      -1.263800     -0.5433000    
 C   -3.203900       1.238800      0.6061000    
 C   -3.609300     -0.7885000     -0.8118000    
 C   -4.133000      7.2499998E-02  0.3231000    
 C   0.1259000     -0.5939000      8.2599998E-02
 C    2.506700      0.1617000     -0.2095000    
 C    3.366800       1.132800     -0.6978000    
 C    2.989100     -0.9673000      0.4355000    
 C    4.743000      0.9719000     -0.5373000    
 C    4.365400      -1.128300      0.5959000    
 C    5.242200     -0.1587000      0.1096000    
 H   0.7964000       1.133200     -0.8329000    
 H    2.388100      -1.765800      0.8417000    
 H    5.412900       1.737400     -0.9230000    
 H    4.719900      -2.021400       1.104300    


%chk=000163772-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000163772

0 1
Br 2.683555 2.168082 -2.215681
F -1.159369 1.107533 -0.993707
F -1.312548 1.830878 1.651165
F -2.130171 -0.203946 2.281357
F -1.398765 -1.494864 -1.834689
F -2.177041 -2.200733 0.190641
F -4.174599 1.535996 2.010527
F -3.447707 2.285072 -0.013432
F -4.260618 -1.801612 -1.480100
F -3.501123 0.235909 -2.156666
F -5.526771 0.567043 -0.371198
F -4.649961 -0.966236 1.072557
O 0.321252 -1.307172 1.296808
O 7.314812 -1.242797 0.893148
O 7.559141 0.378229 -0.696892
N 1.171247 0.245247 -0.272780
N 6.839592 -0.372253 0.068301
C -1.260053 0.056668 0.012026
C -2.039616 0.703302 1.204893
C -2.085926 -1.085244 -0.668457
C -3.502717 1.156981 0.834575
C -3.550028 -0.660716 -1.066354
C -4.326255 0.025081 0.117067
C 0.179836 -0.416367 0.423373
C 2.568102 0.061080 -0.154931
C 3.434501 0.854723 -0.968508
C 3.149527 -0.882661 0.738528
C 4.826454 0.721141 -0.902648
C 4.544316 -1.026988 0.814228
C 5.365079 -0.225743 -0.005014
H 0.869722 0.954183 -0.956362
H 2.493446 -1.491140 1.362665
H 5.497661 1.322583 -1.519910
H 5.002223 -1.748059 1.495573


