%chk=000036931.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000036931

0 1
 Br  -5.075000      0.5803000      0.2929000    
 N  -4.6500001E-02  -1.514800      0.6016000    
 N   0.6281000       2.526200     -0.3006000    
 C    1.487300      0.3148000      0.1631000    
 C    2.641600     -0.6405000      0.2916000    
 C    3.986600      6.3000001E-02  0.4695000    
 C    4.126800       1.208300     -0.5263000    
 C    3.040500       2.254300     -0.2857000    
 C    1.663100       1.660100     -0.1513000    
 C   0.1774000     -0.1466000      0.2954000    
 C  -0.9062000      0.7263000      0.1388000    
 C  -0.6311000       2.073200     -0.1620000    
 C   0.9335000      -2.523200      0.3705000    
 C   0.2958000      -3.909900      0.3789000    
 C   -2.233900      0.2855000      0.2730000    
 C   -1.706700       2.943400     -0.3169000    
 C  -0.7470000      -4.086700     -0.7278000    
 C   -3.291500       1.176000      0.1125000    
 C   -3.027000       2.507300     -0.1826000    
 C   -1.315700      -5.497100     -0.7346000    
 H    2.602000      -1.165500       1.241900    
 H    2.772300      -1.245200     -0.6066000    
 H    4.073300      0.4637000       1.488600    
 H    4.804400     -0.6557000      0.3411000    
 H    4.051700      0.8182000      -1.549200    
 H    5.114000       1.673900     -0.4307000    
 H    3.049700       2.980600      -1.106700    
 H    3.261200       2.802400      0.6386000    
 H  -0.9156000      -1.775000       1.049000    
 H    1.371100      -2.462800     -0.6274000    
 H    1.643500      -2.629400       1.189100    
 H  -0.1777000      -4.095600       1.351900    
 H    1.083100      -4.665000      0.2583000    
 H   -2.476200     -0.7507000      0.4906000    
 H   -1.525200       3.991300     -0.5495000    
 H  -0.2932000      -3.880600      -1.704100    
 H   -1.571300      -3.376800     -0.5971000    
 H   -3.834400       3.223300     -0.3131000    
 H   -1.805200      -5.727100      0.2171000    
 H   -2.057500      -5.602700      -1.532500    
 H  -0.5274000      -6.237500     -0.9039000    


%chk=000036931-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000036931

0 1
Br -5.016870 0.076114 0.591643
N 0.291370 -1.629159 0.987506
N 0.604724 2.354729 -0.547815
C 1.681021 0.261799 0.199859
C 2.982639 -0.442852 0.578881
C 4.181431 0.522400 0.694692
C 4.268223 1.397627 -0.572446
C 3.021911 2.301161 -0.662775
C 1.708272 1.596475 -0.338674
C 0.419613 -0.331796 0.475457
C -0.783639 0.457536 0.256823
C -0.625100 1.807110 -0.235515
C 1.030902 -2.831301 0.538585
C 0.070115 -4.023818 0.321608
C -2.106675 -0.042133 0.487123
C -1.788302 2.620777 -0.428790
C -0.884823 -3.854253 -0.883087
C -3.207512 0.787556 0.280670
C -3.070728 2.131838 -0.170665
C -1.874994 -5.029910 -1.025542
H 2.825685 -0.980851 1.534146
H 3.243563 -1.217420 -0.171217
H 4.063258 1.173797 1.583757
H 5.110850 -0.060560 0.838761
H 4.333237 0.741376 -1.463773
H 5.182014 2.020703 -0.564287
H 2.922210 2.759184 -1.664147
H 3.122911 3.149333 0.043786
H -0.588880 -1.838130 1.460776
H 1.537737 -2.599088 -0.415296
H 1.812552 -3.118046 1.271090
H -0.519242 -4.194207 1.248672
H 0.680718 -4.937882 0.178768
H -2.277003 -1.075906 0.803419
H -1.631996 3.641580 -0.790188
H -0.281701 -3.760095 -1.808601
H -1.447449 -2.904602 -0.786601
H -3.954602 2.758173 -0.319652
H -2.516225 -5.120774 -0.128378
H -2.536966 -4.893091 -1.899502
H -1.339549 -5.989692 -1.153670


