%chk=000044571.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000044571

0 1
 Br   1.215000      -3.397100      3.9999999E-04
 O  -0.4815000     -0.6426000     -1.2000001E-03
 O    4.886400      0.3521000      1.2000001E-03
 N   -5.185600     -0.3548000      1.0000000E-03
 C   -2.470600      0.7468000      1.9999999E-04
 C   -3.116000      0.1436000       1.259700    
 C   -3.117900      0.1462000      -1.259500    
 C   -4.639300      0.2614000       1.210100    
 C   -4.641200      0.2639000      -1.207700    
 C  -0.9636000      0.6212000     -1.0000000E-03
 C   4.3000001E-02   1.545500     -7.9999998E-04
 C    1.253800      0.8039000     -7.9999998E-04
 C   0.8771000     -0.5352000     -1.1000000E-03
 C    2.624600       1.115900     -6.9999998E-04
 C    1.776200      -1.600100     -1.2000001E-03
 C    3.553200      6.5899998E-02 -7.9999998E-04
 C    3.134100      -1.266800     -1.1000000E-03
 C    5.252200       1.730000      3.1999999E-03
 H   -2.697400       1.823300      1.5000000E-03
 H   -2.738400      0.6525000       2.155100    
 H   -2.834200     -0.9132000       1.359900    
 H   -2.836300     -0.9104000      -1.362300    
 H   -2.741500      0.6568000      -2.154500    
 H   -5.071600     -0.2334000       2.086700    
 H   -4.942800       1.314000       1.262600    
 H   -4.944900       1.316500      -1.257600    
 H   -5.074700     -0.2293000      -2.084700    
 H   -4.948400      -1.347100     -1.9999999E-04
 H  -6.9300003E-02   2.620600     -3.9999999E-04
 H    2.890200       2.165700     -3.0000001E-04
 H    3.885500      -2.054600     -6.0000003E-04
 H    6.346400       1.773400      4.8000002E-03
 H    4.912700       2.236600      0.9131000    
 H    4.915400       2.238400     -0.9067000    


%chk=000044571-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000044571

0 1
Br 1.293613 -3.454310 -0.002048
O -0.509769 -0.691020 -0.000121
O 4.976206 0.345141 0.000279
N -5.317546 -0.311820 0.000069
C -2.522873 0.753433 0.000867
C -3.158026 0.118184 1.276402
C -3.158004 0.120043 -1.275600
C -4.704826 0.244401 1.231423
C -4.704804 0.246205 -1.230459
C -1.029078 0.640956 0.000780
C 0.005340 1.558170 0.001374
C 1.257670 0.818456 0.000776
C 0.889054 -0.557520 -0.000114
C 2.627261 1.185433 0.000927
C 1.845295 -1.583312 -0.000848
C 3.584638 0.145862 0.000187
C 3.203322 -1.231139 -0.000685
C 5.457676 1.728040 0.001326
H -2.760842 1.837456 0.001651
H -2.759224 0.613697 2.183050
H -2.866994 -0.949049 1.328278
H -2.866971 -0.947111 -1.329034
H -2.759193 0.616884 -2.181516
H -5.155664 -0.256992 2.107116
H -4.984918 1.316328 1.289555
H -4.984883 1.318220 -1.287016
H -5.155638 -0.253892 -2.106896
H -5.285220 -1.341941 -0.000685
H -0.112691 2.640211 0.002117
H 2.920098 2.238065 0.001618
H 3.989729 -1.989352 -0.001211
H 6.554563 1.650292 0.001295
H 5.121628 2.270115 0.906888
H 5.121675 2.271465 -0.903443


