%chk=000178453.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000178453

0 1
 Br  -2.172300      -2.132400       1.904700    
 Br  -3.442500       3.102300      5.7799999E-02
 O   -1.270800      -2.419000      -1.516400    
 N   -1.778600      0.8483000     -0.7554000    
 N    2.134500      9.2600003E-02 -0.7072000    
 N   -2.922300      0.5214000       1.119900    
 N    2.508600      0.6129000       2.023200    
 C   0.6660000      -1.769500     -0.1946000    
 C  -0.5217000      -1.288200      -1.065200    
 C   -1.482900     -0.3864000     -0.3144000    
 C    1.558700     -0.6247000      0.2581000    
 C    1.494500      -2.838700     -0.9246000    
 C   -2.173900     -0.5902000      0.8240000    
 C   -2.661100       1.368900      0.1497000    
 C    1.723700     -0.3932000       1.589600    
 C   -1.274900       1.504200      -1.940700    
 C    2.919300       1.098900     -0.2736000    
 C    3.103100       1.354500       1.067500    
 C    3.592500       1.938500      -1.302300    
 H   0.2926000      -2.288200      0.6920000    
 H  -0.1360000     -0.8029000      -1.966900    
 H   0.8963000      -3.730700      -1.137000    
 H    2.349600      -3.153400     -0.3155000    
 H    1.887000      -2.460400      -1.875200    
 H   -1.521800      -2.946300     -0.7385000    
 H    1.250900     -0.9838000       2.364000    
 H  -0.1922000       1.614100      -1.840100    
 H   -1.522200      0.8868000      -2.808500    
 H   -1.723200       2.489100      -2.070700    
 H    3.732400       2.161400       1.424000    
 H    4.679800       1.879000      -1.191000    
 H    3.337200       1.601700      -2.312400    
 H    3.279800       2.983000      -1.205800    


%chk=000178453-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000178453

0 1
Br -2.393942 -1.826382 2.070191
Br -3.012363 3.408844 -0.306080
O -1.387184 -2.576496 -1.403137
N -1.574738 0.924874 -0.880806
N 1.822725 0.214536 -0.569423
N -2.796523 0.853357 1.038345
N 2.980234 0.225164 2.028806
C 0.657517 -1.927770 -0.116956
C -0.543947 -1.434919 -0.985199
C -1.369313 -0.360056 -0.324878
C 1.540453 -0.777101 0.334449
C 1.496425 -2.957588 -0.920375
C -2.144121 -0.350395 0.843011
C -2.431652 1.598908 -0.013583
C 2.113606 -0.749908 1.633649
C -0.989956 1.409364 -2.141053
C 2.681748 1.212354 -0.184019
C 3.263721 1.195206 1.111509
C 2.968503 2.313066 -1.177218
H 0.253733 -2.426358 0.785831
H -0.133893 -1.055589 -1.934382
H 0.835739 -3.746137 -1.318301
H 2.268526 -3.423213 -0.282658
H 2.002557 -2.462232 -1.769198
H -1.903453 -2.890918 -0.614636
H 1.872806 -1.521578 2.372669
H 0.096650 1.220925 -2.131836
H -1.452638 0.898271 -3.003145
H -1.177148 2.490455 -2.227678
H 3.965654 1.974942 1.425004
H 3.786561 2.966365 -0.831451
H 3.242348 1.887426 -2.158266
H 2.071466 2.942184 -1.330684


