%chk=000043303.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000043303

0 1
 Br  -6.157900     -0.2738000      0.3328000    
 O    2.691900       1.266400      -1.163000    
 N    2.861500      0.3220000      0.9590000    
 C  -6.1099999E-02 -0.1703000     -0.3385000    
 C   0.6996000      0.8746000      6.0500000E-02
 C   -1.533800     -0.1968000     -0.1773000    
 C   0.4912000      -1.401800      -1.010900    
 C    2.185600      0.8621000     -0.1205000    
 C   0.1910000       2.135700      0.6972000    
 C   -2.328200      0.3000000      -1.192300    
 C   -2.071500     -0.7161000      0.9845000    
 C   -3.714500      0.2767000      -1.039700    
 C   -3.457900     -0.7396000       1.137100    
 C    4.288500      0.1710000      0.9741000    
 C   -4.279500     -0.2432000      0.1250000    
 C    4.708400      -1.157600      0.4247000    
 C    5.486800      -1.309100     -0.6528000    
 H   0.2870000      -2.290900     -0.4038000    
 H   2.7600000E-02  -1.543600      -1.993600    
 H    1.571900      -1.363800      -1.172400    
 H   0.6126000       2.248500       1.701800    
 H  -0.8972000       2.168700      0.7950000    
 H   0.4894000       3.005200      0.1015000    
 H   -1.899000      0.7076000      -2.103400    
 H   -1.440800      -1.105000       1.779200    
 H    2.336500     -7.4999998E-03   1.764500    
 H   -4.340500      0.6678000      -1.837700    
 H   -3.881900      -1.147800       2.051000    
 H    4.614400      0.2502000       2.016500    
 H    4.744500      0.9979000      0.4181000    
 H    4.361500      -2.046800      0.9451000    
 H    5.759100      -2.300200     -0.9987000    
 H    5.862100     -0.4552000      -1.205800    


%chk=000043303-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000043303

0 1
Br -6.357386 -0.277839 -0.003425
O 2.774716 1.647909 -0.950282
N 2.911035 0.222725 0.890075
C -0.054384 -0.198407 -0.073824
C 0.691984 0.941355 0.099097
C -1.555664 -0.186442 -0.033004
C 0.549713 -1.561513 -0.399667
C 2.201171 0.949825 -0.056522
C 0.141914 2.329052 0.387547
C -2.310194 0.672446 -0.877677
C -2.267055 -1.086038 0.806362
C -3.722620 0.652366 -0.877498
C -3.678863 -1.114237 0.828729
C 4.386491 0.125228 0.865879
C -4.392259 -0.240755 -0.017280
C 4.879008 -1.206936 0.321484
C 5.587323 -1.341474 -0.826573
H 0.326099 -2.304399 0.391279
H 0.103514 -1.955972 -1.331839
H 1.641667 -1.519826 -0.534747
H 0.679015 2.784940 1.241180
H -0.933501 2.313509 0.622156
H 0.311122 2.994845 -0.479225
H -1.787124 1.351234 -1.559552
H -1.717906 -1.766208 1.467313
H 2.384387 -0.296210 1.594963
H -4.285566 1.315792 -1.540285
H -4.209552 -1.803692 1.491600
H 4.767320 0.286155 1.893589
H 4.743001 0.952616 0.229368
H 4.632065 -2.100548 0.915857
H 5.926313 -2.321386 -1.182180
H 5.841515 -0.472816 -1.445699


