%chk=000038311.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000038311

0 1
 Br  -5.252000       4.752100      0.6127000    
 Br  -4.404500      -5.105600     -0.9303000    
 N   -3.124500     -6.3600004E-02 -2.4999999E-03
 N    2.430000      0.3794000      0.5429000    
 N    3.001900     -0.2105000     -0.4037000    
 C   -3.870200      0.9575000     -0.7409000    
 C   -3.853600      -1.162800      0.5831000    
 C   -4.162500       2.162200      0.1492000    
 C   -3.791000      -2.393200     -0.3174000    
 C   -1.733500      4.7100000E-02  0.1342000    
 C   -1.015400     -0.9175000      0.8495000    
 C   -1.050900       1.123100     -0.4438000    
 C   -4.976700       3.228000     -0.5692000    
 C   -4.586800      -3.562000      0.2441000    
 C   0.3685000     -0.8071000      0.9856000    
 C   0.3330000       1.233200     -0.3078000    
 C    1.042600      0.2681000      0.4068000    
 C    4.396200     -9.8700002E-02 -0.2674000    
 C    5.099700      -1.063800      0.4464000    
 C    5.062900      0.9765000     -0.8470000    
 C    6.483400     -0.9527000      0.5825000    
 C    6.446700       1.087500     -0.7110000    
 C    7.156900      0.1228000      3.8999999E-03
 H   -3.377500       1.241000      -1.677900    
 H   -4.829600      0.5325000      -1.066700    
 H   -3.523800      -1.387700       1.604300    
 H   -4.908400     -0.8802000      0.7031000    
 H   -4.706300       1.828000       1.043000    
 H   -3.229800       2.603200      0.5202000    
 H   -4.176600      -2.133700      -1.312600    
 H   -2.751000      -2.702300     -0.4758000    
 H   -1.480800      -1.776600       1.320600    
 H   -1.539700       1.909100      -1.008600    
 H   -5.968100       2.864500     -0.8522000    
 H   -4.458700       3.609500      -1.453300    
 H   -5.655000      -3.337500      0.3072000    
 H   -4.217900      -3.872400       1.225300    
 H   0.9135000      -1.563700       1.544400    
 H   0.8501000       2.075300     -0.7607000    
 H    4.582800      -1.905400      0.8999000    
 H    4.517400       1.732100      -1.405900    
 H    7.036500      -1.703800       1.138900    
 H    6.971300       1.924900      -1.161700    
 H    8.234300      0.2094000      0.1097000    


%chk=000038311-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000038311

0 1
Br -5.784683 4.085777 2.462681
Br -4.989713 -4.514769 -2.551832
N -3.154409 -0.028096 -0.013487
N 2.500393 0.623854 -0.057854
N 3.255116 -0.446736 0.051328
C -4.042698 1.122911 -0.251295
C -3.808278 -1.329182 0.212491
C -4.374177 1.910564 1.052481
C -3.994736 -2.145683 -1.102081
C -1.759426 0.106935 -0.021669
C -0.900543 -1.041331 0.079382
C -1.134831 1.391917 -0.132350
C -5.313400 3.081536 0.759446
C -4.701823 -3.474502 -0.829153
C 0.491392 -0.911027 0.076093
C 0.261750 1.512364 -0.144147
C 1.102971 0.372481 -0.037728
C 4.663271 -0.181988 0.026604
C 5.251837 1.108562 -0.111628
C 5.495881 -1.326226 0.151639
C 6.653228 1.237029 -0.122624
C 6.899722 -1.188587 0.139978
C 7.483358 0.093057 0.002830
H -3.590180 1.796393 -1.002950
H -4.982903 0.745799 -0.697703
H -3.232881 -1.916058 0.952161
H -4.799109 -1.141230 0.669391
H -4.844771 1.224704 1.781009
H -3.439636 2.277057 1.512533
H -4.585447 -1.547362 -1.820203
H -3.010417 -2.328532 -1.568341
H -1.328727 -2.045745 0.146252
H -1.737257 2.302027 -0.195441
H -6.284526 2.760489 0.349695
H -4.859602 3.842910 0.105285
H -5.713371 -3.345597 -0.412016
H -4.112069 -4.151693 -0.191221
H 1.138413 -1.790681 0.150309
H 0.736459 2.495917 -0.226537
H 4.593541 1.977420 -0.207253
H 5.016227 -2.305270 0.256134
H 7.108480 2.228520 -0.229218
H 7.536827 -2.074600 0.236920
H 8.573648 0.202874 -0.006812


