%chk=000174600.chk
%nprocshared=4
%mem=3800MB
#p opt=(loose) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000174600

0 1
 Br -0.1463000       4.957300      -1.167400    
 O   -1.040400      -2.747500     -0.3740000    
 O    5.730000      -1.271100     -8.7700002E-02
 O    2.152400       2.995100      0.4650000    
 O    4.575800      0.6849000      0.1811000    
 N   -1.886500     -2.5400000E-02 -2.6100000E-02
 N    1.784300      0.2618000      9.3999997E-02
 N   8.8399999E-02   1.878300      0.3066000    
 N    3.484000      -1.366700     -0.1257000    
 C  -0.5423000     -0.4123000     -2.4599999E-02
 C   -2.771200     -0.9729000      5.5000000E-03
 C  -0.1417000      -1.733500     -0.2024000    
 C   -2.346000      -2.435800      8.3499998E-02
 C   0.4602000      0.5385000      0.1184000    
 C   -4.222600     -0.6358000      8.8999998E-03
 C    1.209700      -2.059200     -0.2507000    
 C    2.124900      -1.032200     -9.3000002E-02
 C   -4.671800      0.5037000     -0.6547000    
 C   -5.124800      -1.461300      0.6761000    
 C   -6.030500      0.8193000     -0.6511000    
 C   -6.483500      -1.145700      0.6796000    
 C   -6.936300     -5.5000000E-03  1.6200000E-02
 C   0.9242000       2.986800      0.4629000    
 C    4.583800     -0.5276000      7.1000000E-03
 C   0.1492000       4.270700      0.6214000    
 C    6.960500     -0.5474000      2.8999999E-02
 C    8.116500      -1.516400     -9.8099999E-02
 H   -3.044700      -3.042200     -0.5027000    
 H   -2.419700      -2.757000       1.129700    
 H    1.524200      -3.087300     -0.4010000    
 H   -3.983500       1.156000      -1.185500    
 H   -4.798800      -2.348800       1.210400    
 H  -0.9149000       2.049300      0.3197000    
 H    3.698600      -2.351200     -0.2657000    
 H   -6.383700       1.706300      -1.168800    
 H   -7.188700      -1.786200       1.201200    
 H   -7.994200      0.2404000      1.9200001E-02
 H   0.7306000       5.007500       1.179800    
 H  -0.8231000       4.119500       1.095000    
 H    6.999900     -5.0000001E-02   1.004500    
 H    7.018300      0.2042000     -0.7662000    
 H    9.074400     -0.9958000     -1.3300000E-02
 H    8.061900      -2.285500      0.6795000    
 H    8.080000      -2.035600      -1.061500    


%chk=000174600-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000174600

0 1
Br -2.028471 4.238243 0.361907
O -1.057733 -2.831725 -0.115748
O 5.820100 -1.282598 -0.147396
O 2.053845 3.169553 0.029850
O 4.661768 0.388338 1.045952
N -1.845259 -0.080075 0.016846
N 1.855048 0.221011 0.071403
N 0.086631 1.848583 0.181207
N 3.574326 -1.406668 -0.101263
C -0.498334 -0.474191 0.081140
C -2.786369 -1.007079 0.111424
C -0.089212 -1.830852 -0.023360
C -2.401426 -2.460489 0.414630
C 0.536523 0.516415 0.117707
C -4.210906 -0.629088 0.008309
C 1.269886 -2.166084 -0.092579
C 2.203639 -1.091789 -0.026446
C -4.563613 0.718670 -0.299591
C -5.256175 -1.572427 0.227720
C -5.912873 1.104692 -0.388257
C -6.608906 -1.180274 0.140629
C -6.944172 0.157058 -0.169705
C 0.806391 3.031563 0.137341
C 4.660238 -0.634686 0.339403
C 0.010638 4.344886 0.231178
C 7.106858 -0.651377 0.262074
C 8.220504 -1.442788 -0.416269
H -3.080323 -3.184154 -0.058289
H -2.396087 -2.629896 1.512410
H 1.583459 -3.211104 -0.156596
H -3.759523 1.442162 -0.464569
H -5.029065 -2.614747 0.476472
H -0.943472 1.916018 0.210093
H 3.832128 -2.305501 -0.513671
H -6.165953 2.142979 -0.629015
H -7.400278 -1.917405 0.314616
H -7.994795 0.459103 -0.240288
H 0.210276 4.951309 -0.664701
H 0.325184 4.891329 1.133165
H 7.177963 -0.683752 1.364913
H 7.089738 0.408149 -0.050205
H 9.201590 -1.011394 -0.146266
H 8.206803 -2.499430 -0.097936
H 8.116010 -1.406788 -1.514141


