%chk=000063593.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000063593

0 1
 Br   3.400900      -2.841500     -0.9281000    
 Br   5.147300       2.450000      7.7500001E-02
 O  -0.2321000       2.211100      0.8258000    
 N  -0.9478000      2.2000000E-02  0.4051000    
 N   -4.445900       1.117100     -0.2991000    
 N   0.6342000      -1.636500     -0.2279000    
 C   -2.342500      0.3533000      0.6924000    
 C   -3.049700      0.8037000     -0.5824000    
 C  -0.5806000      -1.271800      4.0500000E-02
 C   3.7000000E-03   1.048200      0.5100000    
 C    1.395000      0.6507000      0.2065000    
 C   -1.663500      -2.320700     -5.0299998E-02
 C    1.650900     -0.6759000     -0.1493000    
 C    2.433300       1.586500      0.2756000    
 C   -1.855700      -3.028100       1.272400    
 C   -5.131200     -4.7899999E-02  0.2625000    
 C   -5.127800       1.572100      -1.511700    
 C    2.966600      -1.056900     -0.4366000    
 C    3.739000       1.192500     -1.3600000E-02
 C    4.006000     -0.1278000     -0.3691000    
 H   -2.814600     -0.4965000       1.179700    
 H   -2.365500       1.170600       1.425000    
 H   -2.545300       1.700800     -0.9649000    
 H   -2.964200      4.5000002E-02  -1.370400    
 H   -2.611300      -1.922200     -0.4117000    
 H   -1.351200      -3.061800     -0.7975000    
 H    2.228800       2.617700      0.5529000    
 H   -2.652800      -3.773900       1.193200    
 H   -2.111200      -2.340100       2.083100    
 H  -0.9381000      -3.547800       1.569700    
 H   -4.975000     -0.9557000     -0.3313000    
 H   -6.212700      0.1326000      0.3060000    
 H   -4.842900     -0.2347000       1.301100    
 H   -5.150700      0.7989000      -2.288400    
 H   -4.632400       2.459200      -1.922200    
 H   -6.158900       1.867000      -1.287000    
 H    5.026100     -0.4322000     -0.5940000    


%chk=000063593-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000063593

0 1
Br 3.531903 -2.937616 -0.828264
Br 5.142960 2.580189 -0.186600
O -0.370472 2.205163 0.638279
N -0.936145 -0.066195 0.429403
N -4.517723 0.980049 -0.327158
N 0.699466 -1.736124 -0.151039
C -2.350206 0.315392 0.700057
C -3.087860 0.738438 -0.596969
C -0.551605 -1.386734 0.132579
C 0.005628 1.016152 0.414354
C 1.397169 0.620869 0.123896
C -1.584151 -2.497181 0.181045
C 1.690787 -0.754761 -0.153360
C 2.405342 1.617442 0.115995
C -1.756626 -3.072993 1.613734
C -5.326008 -0.254032 -0.298125
C -5.115475 2.025436 -1.182602
C 3.051440 -1.089562 -0.440359
C 3.720148 1.235492 -0.168230
C 4.060121 -0.114316 -0.448725
H -2.862840 -0.521073 1.197113
H -2.336659 1.176299 1.386060
H -2.626598 1.674089 -0.958227
H -2.929061 -0.036786 -1.390418
H -2.557104 -2.163038 -0.221254
H -1.204545 -3.293704 -0.479330
H 2.123481 2.651575 0.331403
H -2.475651 -3.910987 1.602204
H -2.126716 -2.314952 2.328151
H -0.790155 -3.451847 1.988187
H -5.383044 -0.763931 -1.293762
H -6.355265 -0.016176 0.023994
H -4.910585 -0.974394 0.429616
H -5.166749 1.743251 -2.264105
H -4.529124 2.956409 -1.096162
H -6.143710 2.239002 -0.839017
H 5.093834 -0.391847 -0.668864


