%chk=000155777.chk
%nprocshared=8
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000155777

0 1
 Br   3.786600       3.205800      0.7366000    
 O  -5.2400000E-02 -0.6192000      -1.774600    
 O    1.034200       2.151300     -0.2377000    
 O    1.985400      -2.528300      6.2899999E-02
 N   -4.496300      1.0500000E-02  8.8699996E-02
 N  -0.8274000     -0.6156000      0.4107000    
 C   -3.111800      0.2002000      0.5451000    
 C   -2.728300       1.541200     -6.2500000E-02
 C   -2.203500     -0.9349000      0.1004000    
 C   -4.016300       2.349300     -1.4100000E-02
 C   -5.119800       1.330400      0.2343000    
 C   -2.623400      -2.263200      0.7482000    
 C   -1.730200      -3.428900      0.3437000    
 C   0.1425000     -0.4837000     -0.5696000    
 C    1.513800     -0.1797000     -8.5800000E-02
 C    1.900400       1.138800      5.9400000E-02
 C    2.366200      -1.227500      0.2060000    
 C    3.188800       1.420500      0.5139000    
 C    3.654500     -0.9458000      0.6603000    
 C    4.065800      0.3781000      0.8146000    
 C    1.045900       2.638400      -1.576700    
 C    2.225400      -3.137500      -1.203900    
 H   -3.099700      0.2891000       1.641000    
 H   -1.923100       2.037400      0.4888000    
 H   -2.406700       1.433700      -1.106100    
 H   -2.293700      -1.055700     -0.9873000    
 H   -4.166800       2.888800     -0.9553000    
 H   -3.984800       3.085900      0.7962000    
 H   -5.949900       1.449400     -0.4682000    
 H   -5.516800       1.447200       1.249600    
 H   -4.980600     -0.6762000      0.6640000    
 H   -3.652500      -2.514500      0.4674000    
 H   -2.601600      -2.172500       1.841500    
 H  -0.5704000     -0.4912000       1.386000    
 H   -1.687000      -3.532500     -0.7451000    
 H   -2.122800      -4.363200      0.7577000    
 H  -0.7113000      -3.303800      0.7217000    
 H    4.343000      -1.752500      0.8971000    
 H    5.073300      0.5783000       1.170000    
 H   0.4233000       2.002800      -2.212100    
 H   0.6212000       3.646100      -1.576500    
 H    2.060300       2.688100      -1.985900    
 H    1.748000      -4.121300      -1.205600    
 H    1.803600      -2.543800      -2.020000    
 H    3.300700      -3.270800      -1.358600    


%chk=000155777-Freq.chk
%nprocshared=8
%mem=21GB
#p freq=noraman PBEPBE/SDD

000155777

0 1
Br 4.045747 3.263794 0.722300
O -0.238641 -0.087242 -1.749525
O 1.156148 2.310361 -0.110986
O 1.960355 -2.520752 0.073143
N -4.490022 -0.063793 0.491715
N -0.728228 -0.725763 0.446219
C -3.036454 0.179161 0.761230
C -2.696922 1.527609 0.044193
C -2.168602 -1.013915 0.252336
C -4.063272 2.242633 -0.094916
C -5.024750 1.052239 -0.346320
C -2.544367 -2.339067 0.953418
C -1.810940 -3.573146 0.387781
C 0.120479 -0.297286 -0.543853
C 1.556718 -0.092643 -0.091013
C 2.042751 1.234743 0.058679
C 2.422757 -1.186244 0.170644
C 3.379955 1.440348 0.482668
C 3.750971 -0.967408 0.597498
C 4.229957 0.349860 0.760261
C 1.093060 2.865069 -1.490801
C 1.789005 -3.019719 -1.313771
H -2.863859 0.278768 1.856915
H -1.949850 2.116084 0.602259
H -2.270689 1.317961 -0.953746
H -2.328682 -1.108298 -0.837611
H -4.072829 2.984354 -0.913472
H -4.333435 2.761358 0.845327
H -5.001781 0.768711 -1.416802
H -6.075284 1.268435 -0.079977
H -5.032108 -0.205723 1.350772
H -3.637677 -2.455594 0.839041
H -2.342050 -2.246065 2.043416
H -0.329919 -0.888221 1.374775
H -2.040953 -3.705803 -0.686150
H -2.121556 -4.493333 0.915684
H -0.714841 -3.473955 0.491285
H 4.390156 -1.829995 0.806109
H 5.255086 0.527937 1.097127
H 0.736596 2.085686 -2.187260
H 0.370822 3.692772 -1.430775
H 2.084172 3.249857 -1.794975
H 1.364759 -4.029600 -1.210470
H 1.102536 -2.374548 -1.891302
H 2.771484 -3.070625 -1.820868


