%chk=000068839.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000068839

0 1
 Br   6.201800     -0.6648000      6.4499997E-02
 O   -3.128000      -1.683300     -2.3600001E-02
 N   0.2882000      0.7855000     -5.4699998E-02
 N   -4.587400      0.1176000      3.1199999E-02
 C   -2.135200      0.5027000     -3.2900002E-02
 C  -0.7763000     -0.1904000     -7.7000000E-02
 C   -3.315400     -0.4639000     -9.3999999E-03
 C    1.633400      0.4553000     -2.8400000E-02
 C    2.047400     -0.8900000     -2.1800000E-02
 C    2.622400       1.456300     -7.1000000E-03
 C   -5.809400     -0.6770000      6.0400002E-02
 C   -4.787000       1.564800      4.7400001E-02
 C    3.401800      -1.222100      5.1000002E-03
 C    3.977000       1.124300      2.0000000E-02
 C    4.366600     -0.2149000      2.6200000E-02
 H   -2.227500       1.146400     -0.9160000    
 H   -2.180600       1.127000      0.8677000    
 H  -0.7117000     -0.8025000     -0.9849000    
 H  -0.6943000     -0.8598000      0.7883000    
 H   4.7499999E-02   1.770700     -6.8800002E-02
 H    1.330700      -1.706700     -3.9500002E-02
 H    2.336100       2.505900     -1.1300000E-02
 H   -6.415100     -0.4277000     -0.8155000    
 H   -6.363800     -0.4408000      0.9732000    
 H   -5.583500      -1.746100      4.6100002E-02
 H   -5.389600       1.837100     -0.8249000    
 H   -3.873400       2.155800      2.6400000E-02
 H   -5.340300       1.824100      0.9556000    
 H    3.689300      -2.270500      9.3000000E-03
 H    4.716100       1.921200      3.6300000E-02


%chk=000068839-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000068839

0 1
Br 6.308066 -0.761247 0.008246
O -3.120504 -1.633110 -0.015115
N 0.310805 0.818589 -0.022563
N -4.605804 0.157869 0.020742
C -2.139898 0.612331 0.000128
C -0.798602 -0.140820 -0.024920
C -3.319909 -0.376421 0.001097
C 1.653705 0.445749 -0.017409
C 2.051316 -0.925108 -0.007803
C 2.673167 1.446174 -0.020414
C -5.760550 -0.757959 0.022498
C -4.932172 1.590031 0.042441
C 3.418134 -1.276760 0.000176
C 4.036182 1.095399 -0.013347
C 4.400720 -0.268112 -0.002523
H -2.207060 1.280227 -0.882879
H -2.184786 1.257052 0.901307
H -0.762411 -0.793874 -0.919702
H -0.742148 -0.812663 0.853970
H 0.092552 1.813467 -0.051925
H 1.300712 -1.720471 -0.007975
H 2.394034 2.507383 -0.027736
H -6.395481 -0.584545 -0.867643
H -6.375297 -0.606663 0.930666
H -5.381871 -1.790755 0.005610
H -5.538887 1.863708 -0.843306
H -4.025105 2.209873 0.040570
H -5.519300 1.840917 0.947919
H 3.707451 -2.332021 0.007542
H 4.802740 1.875959 -0.015752


