%chk=000141713.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000141713

0 1
 Br  -6.911100      -1.243700      0.6915000    
 N  -0.1993000      0.4031000      -2.787300    
 N    5.314300     -0.5479000      4.2599998E-02
 C   -1.157700      0.7080000     -0.3811000    
 C  -0.2056000      0.6246000      0.7733000    
 C  -0.7305000       1.957400      0.3318000    
 C    1.240000      0.3163000      0.5848000    
 C   -2.554900      0.2340000     -0.1208000    
 C  -0.6258000      0.5387000      -1.716900    
 C    1.624300     -0.8708000     -3.8300000E-02
 C    2.208700       1.216500       1.028800    
 C   -2.771600      -1.071600      0.3066000    
 C   -3.624200       1.103800     -0.3081000    
 C    2.977500      -1.158200     -0.2172000    
 C    3.562000      0.9293000      0.8498000    
 C    3.946400     -0.2581000      0.2267000    
 C   -4.072300      -1.512800      0.5492000    
 C   -4.925000      0.6626000     -6.5300003E-02
 C   -5.149100     -0.6457000      0.3635000    
 C    5.750300      -1.345100      -1.086500    
 C    6.303600     -4.0500000E-02  0.9727000    
 H  -0.6074000      0.2742000       1.723700    
 H   -1.415700       2.462000       1.005400    
 H  -7.1500003E-02   2.649800     -0.1825000    
 H   0.8829000      -1.591400     -0.3733000    
 H    1.924800       2.144100       1.518800    
 H   -1.942300      -1.758800      0.4510000    
 H   -3.465600       2.123700     -0.6478000    
 H    3.243000      -2.098200     -0.6925000    
 H    4.290200       1.656700       1.197000    
 H   -4.229700      -2.535700      0.8817000    
 H   -5.752900       1.350400     -0.2166000    
 H    5.587000      -2.410800     -0.8953000    
 H    6.820000      -1.205700      -1.279500    
 H    5.225300      -1.060300      -2.005300    
 H    7.239600     -0.6058000      0.9008000    
 H    5.962000     -0.1292000       2.010200    
 H    6.535200       1.008300      0.7592000    


%chk=000141713-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000141713

0 1
Br -6.896736 -1.648692 -0.306019
N -0.098421 1.489352 -2.614979
N 5.355910 -0.704251 0.194432
C -1.209428 1.075054 -0.252669
C -0.200894 0.687130 0.948208
C -0.806383 2.073284 0.864702
C 1.241734 0.373836 0.737890
C -2.576987 0.443044 -0.264548
C -0.602399 1.300573 -1.547808
C 1.728521 -0.906456 1.115234
C 2.173879 1.280548 0.168733
C -3.135335 -0.054170 -1.471551
C -3.333912 0.303803 0.930363
C 3.074093 -1.271772 0.944174
C 3.522915 0.933381 -0.014687
C 4.013303 -0.355731 0.370049
C -4.405340 -0.669931 -1.493241
C -4.604154 -0.310256 0.925453
C -5.128551 -0.792807 -0.290758
C 5.820670 -2.045806 0.565865
C 6.285267 0.245094 -0.429714
H -0.702571 -0.002583 1.638588
H -1.592923 2.357167 1.570153
H -0.157702 2.902447 0.568765
H 1.035518 -1.636054 1.554070
H 1.851327 2.279196 -0.148670
H -2.576053 0.039433 -2.408607
H -2.944867 0.674413 1.885656
H 3.394085 -2.269587 1.256509
H 4.196149 1.666315 -0.467322
H -4.819349 -1.044673 -2.433638
H -5.174443 -0.408322 1.853512
H 5.671416 -2.247603 1.646295
H 6.898006 -2.132435 0.353689
H 5.296416 -2.840539 -0.004428
H 7.292106 -0.199723 -0.469164
H 6.355687 1.189572 0.147092
H 5.984345 0.500947 -1.466830


