%chk=000063581.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000063581

0 1
 Br  -6.403000      -1.553700      -1.003500    
 O   -1.269700     -0.7348000      -2.516600    
 N   0.1531000      -1.107800     -0.6760000    
 N    1.512200       2.813600     -0.3160000    
 N  -0.8170000      -1.712700       1.422100    
 N  -0.3662000       1.649100     -0.5507000    
 C    1.312300     -0.6865000      -1.419800    
 C    1.682200      0.6526000      -1.474700    
 C   0.2253000      -1.474400      0.6856000    
 C   0.9236000       1.677100     -0.7919000    
 C   -1.087800      -1.058500      -1.345200    
 C   -2.271100      -1.362500     -0.5128000    
 C   -2.086800      -1.646500      0.8405000    
 C    2.057400      -1.654600      -2.084500    
 C    1.541600      -1.687800       1.334100    
 C   0.5346000       3.573000      0.2740000    
 C    2.810700       1.028700      -2.203100    
 C  -0.6284000       2.824800      0.1144000    
 C    3.185900      -1.278600      -2.813000    
 C   -3.556600      -1.333400      -1.067100    
 C    3.562600      6.3100003E-02  -2.872300    
 C   -3.208400      -1.903400       1.638000    
 C   0.5669000       4.812300      0.9142000    
 C    2.152400      -2.935000       1.262000    
 C    2.154800     -0.6372000       2.008100    
 C   -1.840500       3.327400      0.6170000    
 C   -4.665000      -1.591500     -0.2617000    
 C   -4.491700      -1.875000       1.090600    
 C  -0.6485000       5.297400       1.408300    
 C   -1.831900       4.569700       1.263500    
 C    3.391400      -3.134000       1.870900    
 C    3.393900     -0.8363000       2.617000    
 C    4.012200      -2.084700       2.548500    
 H    1.771600      -2.702600      -2.047800    
 H    2.492500       3.057700     -0.3644000    
 H    3.126500       2.065600      -2.285700    
 H    3.770500      -2.030400      -3.335100    
 H   -3.697900      -1.107500      -2.121200    
 H    4.439200      0.3558000      -3.442700    
 H   -3.087400      -2.131900       2.694300    
 H    1.486700       5.375100       1.025500    
 H    1.676400      -3.758400      0.7363000    
 H    1.680000      0.3382000       2.070400    
 H   -2.764900       2.768700      0.5099000    
 H   -5.344300      -2.078700       1.733300    
 H  -0.6715000       6.259200       1.914700    
 H   -2.761000       4.972600       1.658300    
 H    3.873000      -4.106000       1.817200    
 H    3.876800     -1.9300001E-02   3.144900    
 H    4.977000      -2.239600       3.022600    


%chk=000063581-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000063581

0 1
Br -6.558411 -2.152297 -1.338574
O -1.185195 -1.643165 -2.825444
N 0.041186 -1.372581 -0.829015
N 1.834984 2.491404 -0.220364
N -1.028302 -1.440610 1.332804
N -0.205821 1.473757 -0.331736
C 1.190140 -0.968331 -1.624211
C 1.698689 0.361822 -1.555576
C 0.064564 -1.347377 0.588211
C 1.089858 1.399289 -0.707788
C -1.184868 -1.582853 -1.564079
C -2.386349 -1.689896 -0.718800
C -2.268246 -1.579450 0.700392
C 1.759881 -1.911506 -2.503137
C 1.367965 -1.225325 1.305696
C 0.968560 3.307589 0.515747
C 2.827563 0.683668 -2.359844
C -0.310083 2.653908 0.429800
C 2.872691 -1.570498 -3.298285
C -3.654577 -1.861840 -1.330369
C 3.415130 -0.267500 -3.216055
C -3.446053 -1.640669 1.497493
C 1.157287 4.507717 1.231856
C 2.521365 -1.966639 0.938899
C 1.419720 -0.383351 2.447556
C -1.438509 3.218456 1.069020
C -4.791767 -1.916754 -0.516347
C -4.703983 -1.806006 0.897524
C 0.019267 5.052243 1.864459
C -1.257613 4.419213 1.783751
C 3.707185 -1.858448 1.696619
C 2.609724 -0.266291 3.194737
C 3.759147 -1.002799 2.821518
H 1.318001 -2.910217 -2.561336
H 2.842692 2.607311 -0.308314
H 3.217496 1.708036 -2.356246
H 3.305455 -2.309722 -3.979849
H -3.705990 -1.936469 -2.420173
H 4.274700 0.012410 -3.834046
H -3.342258 -1.560720 2.583372
H 2.131225 5.003757 1.297775
H 2.490533 -2.644523 0.080887
H 0.517603 0.165974 2.733620
H -2.413494 2.726773 1.001155
H -5.609401 -1.853466 1.509220
H 0.116804 5.985233 2.430379
H -2.112260 4.881157 2.289505
H 4.586470 -2.446818 1.412475
H 2.638931 0.392872 4.069248
H 4.682063 -0.918070 3.406269


