%chk=000169289.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000169289

1 1
 Br   6.795900      -1.377800      4.9400002E-02
 N    1.215800      0.9923000     -0.3249000    
 N   -5.111700     -0.6008000     -9.8999999E-03
 N   0.2057000       5.676000      0.3273000    
 C   0.5359000     -0.1097000     -0.1443000    
 C    2.697800     -0.6946000     -5.9099998E-02
 C    2.587000      0.6501000     -0.2731000    
 C    1.453900      -1.246800      3.1599998E-02
 C    3.894000      -1.394100      5.4800000E-02
 C   0.8024000       2.374800     -0.5816000    
 C  -0.9212000     -0.2359000     -0.1096000    
 C    3.721600       1.426600     -0.3977000    
 C    1.307200      -2.597600      0.2649000    
 C    5.062800     -0.6149000     -7.2300002E-02
 C    3.763200      -2.780000      0.2838000    
 C    4.967200      0.7789000     -0.2960000    
 C    2.479400      -3.365600      0.3877000    
 C   -1.611600     -0.1028000       1.099200    
 C   -1.634700     -0.4911000      -1.285300    
 C   0.8783000       3.164000      0.7161000    
 C   -3.707100     -0.4785000     -4.3400001E-02
 C   -3.000800     -0.2240000       1.132300    
 C   -3.023900     -0.6121000      -1.252300    
 C   -5.933600      0.5000000      0.4521000    
 C   -5.752600      -1.824100     -0.4502000    
 C   -6.286900       1.410800     -0.7080000    
 C   -5.886800      -2.790500      0.7109000    
 C   0.5024000       4.567300      0.4974000    
 H    1.433800       2.798500      -1.371600    
 H  -0.2234000       2.360600     -0.9680000    
 H    3.683000       2.496200     -0.5692000    
 H   0.3314000      -3.061400      0.3501000    
 H    4.633900      -3.420800      0.3882000    
 H   -1.072500      9.3599997E-02   2.022600    
 H   -1.113900     -0.5948000      -2.234000    
 H    5.869000       1.380700     -0.3935000    
 H    2.398200      -4.434900      0.5685000    
 H   0.2097000       2.724800       1.467200    
 H    1.886400       3.132700       1.145700    
 H   -3.516000     -0.1276000       2.084500    
 H   -3.558700     -0.7994000      -2.179800    
 H   -6.858100      0.1186000      0.9022000    
 H   -5.433100       1.081400       1.235000    
 H   -6.750200      -1.606200     -0.8505000    
 H   -5.198500      -2.305000      -1.264500    
 H   -6.926100       2.230800     -0.3658000    
 H   -6.823300      0.8674000      -1.492800    
 H   -5.388800       1.847100      -1.157800    
 H   -6.391500      -3.706000      0.3867000    
 H   -6.469600      -2.352900       1.528200    
 H   -4.906100      -3.068400       1.111400    


%chk=000169289-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000169289

1 1
Br 6.929673 -1.155490 0.877216
N 1.296772 0.647414 -0.873668
N -5.171966 -0.612171 0.097148
N 0.198479 5.206276 -2.322301
C 0.529169 -0.174942 -0.036316
C 2.776109 -0.555850 0.380237
C 2.688643 0.421543 -0.634910
C 1.469845 -0.954166 0.782139
C 3.986898 -1.091827 0.882107
C 0.830591 1.810439 -1.658056
C -0.910237 -0.263277 -0.033050
C 3.856407 0.945089 -1.201451
C 1.355573 -1.991811 1.731089
C 5.183407 -0.536006 0.297606
C 3.843373 -2.113039 1.876133
C 5.106435 0.449231 -0.705283
C 2.556997 -2.542703 2.271526
C -1.608167 -0.511724 1.197413
C -1.710238 -0.170581 -1.222591
C 1.058031 3.141935 -0.875248
C -3.800272 -0.509566 0.056043
C -2.995665 -0.611848 1.250559
C -3.095493 -0.303939 -1.187979
C -5.904374 -0.935977 1.351285
C -6.019125 -0.404023 -1.109082
C -6.242407 0.314462 2.193118
C -6.233791 -1.696616 -1.926962
C 0.588937 4.291053 -1.665172
H 1.371413 1.833545 -2.619713
H -0.238989 1.706236 -1.877542
H 3.859577 1.691294 -2.001857
H 0.387892 -2.391654 2.047713
H 4.731964 -2.573431 2.320051
H -1.044497 -0.548487 2.135501
H -1.224909 -0.096540 -2.201840
H 6.031217 0.845436 -1.133832
H 2.476667 -3.339309 3.017688
H 0.505566 3.110690 0.082239
H 2.127549 3.279451 -0.633253
H -3.470782 -0.738543 2.225799
H -3.641987 -0.291874 -2.133447
H -6.836489 -1.451462 1.059279
H -5.320577 -1.663790 1.940999
H -6.992934 -0.017906 -0.758776
H -5.578435 0.391089 -1.735017
H -6.808650 0.018763 3.093858
H -6.864747 1.023953 1.619938
H -5.331235 0.846480 2.517254
H -6.891497 -1.489882 -2.789560
H -6.714275 -2.480459 -1.315378
H -5.280246 -2.100591 -2.309053


