%chk=000045329.chk
%nprocshared=8
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000045329

0 1
 Br   6.290600      -3.001100     -0.7246000    
 O   1.2900000E-02 -0.5780000      0.3726000    
 N   -4.703100     -0.9242000      0.4197000    
 N   -3.606300     -0.1172000      0.8516000    
 C   -6.230700      -1.383900      -1.280400    
 C   -6.994900     -0.9989000     -1.6799999E-02
 C   -4.803700     -0.9116000      -1.041000    
 C   -5.961500     -0.3446000      0.8903000    
 C   -2.373900     -0.7341000      0.3822000    
 C   -1.165100      6.8099998E-02  0.8372000    
 C    1.183200      0.1254000      0.7665000    
 C    2.437700     -0.6440000      0.4007000    
 C    1.165900       1.530600      0.2016000    
 C    3.567700     -0.4989000       1.183800    
 C    2.420700      -1.470600     -0.7075000    
 C    1.797100       2.545400      0.8987000    
 C   0.5198000       1.767200     -0.9988000    
 C    4.722100      -1.205500      0.8468000    
 C    3.575000      -2.177400      -1.044600    
 C    1.781400       3.839500      0.3785000    
 C   0.5043000       3.061400      -1.518900    
 C    4.725900      -2.045000     -0.2674000    
 C    1.135200       4.097500     -0.8302000    
 H   -6.264600      -2.471500      -1.416100    
 H   -6.663300     -0.9206000      -2.172900    
 H   -7.823400     -0.3179000     -0.2364000    
 H   -7.413000      -1.897200      0.4523000    
 H   -4.105900      -1.596800      -1.533200    
 H   -4.672900      9.4700001E-02  -1.461700    
 H   -5.992100      0.7452000      0.7549000    
 H   -6.152200     -0.5685000       1.945000    
 H   -3.595800     -8.0700003E-02   1.870900    
 H   -2.280100      -1.765200      0.7490000    
 H   -2.314100     -0.7820000     -0.7113000    
 H   -1.285300       1.095800      0.4871000    
 H   -1.142600      9.3099996E-02   1.934700    
 H    1.148800      0.1842000       1.864700    
 H    3.576200      0.1476000       2.056200    
 H    1.539500      -1.580400      -1.332200    
 H    2.299000       2.358500       1.843200    
 H   4.7400001E-02  0.9755000      -1.572900    
 H    5.610100      -1.091700       1.463200    
 H    3.562100      -2.825300      -1.917300    
 H    2.271700       4.646500      0.9151000    
 H   7.4000000E-03   3.261300      -2.463700    
 H    1.124300       5.104800      -1.236000    


%chk=000045329-Freq.chk
%nprocshared=8
%mem=21GB
#p freq=noraman PBEPBE/SDD

000045329

0 1
Br 6.201209 -3.542608 0.167209
O 0.034377 -0.413387 0.296816
N -4.781444 -0.557372 -0.195017
N -3.659097 -0.084907 0.568331
C -7.039713 -0.404223 -0.875702
C -6.783591 -1.880704 -0.407051
C -5.910172 0.413817 -0.215362
C -5.379347 -1.855723 0.257928
C -2.361327 -0.641915 0.123609
C -1.229145 0.250792 0.649680
C 1.229709 0.315766 0.762098
C 2.426481 -0.621482 0.573924
C 1.387469 1.659087 0.046526
C 3.744359 -0.121218 0.719916
C 2.242694 -1.997882 0.302669
C 1.366721 2.871560 0.775464
C 1.533171 1.702113 -1.363618
C 4.863683 -0.974501 0.605001
C 3.352445 -2.865113 0.176136
C 1.498936 4.113628 0.111123
C 1.658471 2.938910 -2.029934
C 4.650402 -2.341508 0.333576
C 1.645040 4.149179 -1.293802
H -6.956037 -0.336174 -1.973632
H -8.039501 -0.037171 -0.586477
H -7.549284 -2.217181 0.313425
H -6.810739 -2.571934 -1.265868
H -5.618656 1.315233 -0.777345
H -6.200002 0.726572 0.819334
H -5.472363 -1.876907 1.374566
H -4.739053 -2.701644 -0.045751
H -3.805178 -0.209647 1.592585
H -2.177512 -1.691271 0.451465
H -2.364348 -0.631019 -0.978424
H -1.293392 1.256120 0.190683
H -1.292176 0.366201 1.756670
H 1.112270 0.521141 1.853297
H 3.906126 0.945292 0.913483
H 1.226565 -2.381670 0.183567
H 1.244788 2.846191 1.866243
H 1.541094 0.762749 -1.927997
H 5.877496 -0.580228 0.719244
H 3.203709 -3.927233 -0.039121
H 1.483017 5.046668 0.685492
H 1.768154 2.963761 -3.120001
H 1.745191 5.109340 -1.812361


