%chk=000158129.chk
%nprocshared=8
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000158129

0 1
 Br  -6.998500       1.489400     -0.7904000    
 O  -0.6170000     -0.6353000      2.0600000E-02
 O   0.8758000      -2.189300      0.8531000    
 C    2.183600      0.8922000      0.3882000    
 C    3.024600     -0.3228000      0.1933000    
 C    1.642600     -0.2873000     -0.3655000    
 C    1.693400       1.155200       1.772500    
 C    2.460200       2.134500     -0.3913000    
 C    4.153800     -0.2868000     -0.7555000    
 C   0.6219000      -1.158700      0.2445000    
 C    5.416200      0.1186000     -0.5190000    
 C    6.457500      9.3000002E-02  -1.603000    
 C    5.896400      0.6220000      0.8128000    
 C   -1.708700      -1.386000      0.5618000    
 C   -2.994700     -0.6859000      0.2340000    
 C   -3.506500      0.2623000       1.112100    
 C   -3.662400     -0.9933000     -0.9461000    
 C   -4.702300      0.9121000      0.8061000    
 C   -4.858100     -0.3433000      -1.252100    
 C   -5.378100      0.6094000     -0.3760000    
 H    3.207500     -0.9613000       1.052100    
 H    1.534000     -0.1793000      -1.441600    
 H    1.595500      0.2458000       2.375400    
 H    2.386600       1.817100       2.303500    
 H   0.7136000       1.644600       1.747000    
 H    3.299000       2.686200      4.7100000E-02
 H    2.698400       1.940400      -1.442800    
 H    1.584500       2.793100     -0.3810000    
 H    3.924700     -0.6451000      -1.758300    
 H    6.846700       1.101400      -1.778100    
 H    7.290400     -0.5558000      -1.313300    
 H    6.060700     -0.2795000      -2.553300    
 H    6.713100     -7.0000002E-03   1.182000    
 H    6.265800       1.648400      0.7167000    
 H    5.112000      0.6249000       1.575100    
 H   -1.592600      -1.475900       1.649200    
 H   -1.708600      -2.398100      0.1380000    
 H   -2.986900      0.5073000       2.034300    
 H   -3.265100      -1.732300      -1.636500    
 H   -5.093600       1.652300       1.499300    
 H   -5.371900     -0.5906000      -2.177500    


%chk=000158129-Freq.chk
%nprocshared=8
%mem=21GB
#p freq=noraman PBEPBE/SDD

000158129

0 1
Br -7.108733 -0.027881 -2.098920
O -0.552956 -0.206804 0.215153
O 0.862219 -1.018594 1.885911
C 2.480956 1.692940 1.321737
C 3.129378 0.538200 0.543686
C 1.585365 0.800518 0.402106
C 2.374707 1.558298 2.839438
C 2.680832 3.132492 0.847556
C 4.024939 0.723224 -0.626250
C 0.656799 -0.216896 0.938002
C 5.022462 -0.119099 -1.032605
C 5.866732 0.215437 -2.251360
C 5.389457 -1.423222 -0.347220
C -1.562531 -1.208334 0.649865
C -2.869963 -0.909122 -0.051811
C -3.231228 0.410636 -0.416054
C -3.778813 -1.964138 -0.311046
C -4.478924 0.678263 -1.022479
C -5.034182 -1.714175 -0.909667
C -5.368265 -0.390020 -1.257740
H 3.330785 -0.339661 1.168310
H 1.247563 1.268602 -0.526682
H 2.189162 0.516531 3.148617
H 3.314852 1.902577 3.310301
H 1.550549 2.184111 3.231833
H 3.657588 3.518525 1.195486
H 2.651820 3.229927 -0.251491
H 1.889542 3.784181 1.262103
H 3.861761 1.634548 -1.220185
H 6.939995 0.289926 -1.984104
H 5.787876 -0.579962 -3.019325
H 5.562208 1.170260 -2.713950
H 5.317392 -2.267855 -1.060878
H 6.440784 -1.396577 0.002645
H 4.750766 -1.660981 0.518198
H -1.658346 -1.144532 1.751183
H -1.191141 -2.220991 0.407976
H -2.525183 1.227430 -0.240428
H -3.513388 -2.995311 -0.048205
H -4.749849 1.699195 -1.306410
H -5.729488 -2.535068 -1.105895


