%chk=000063929.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000063929

0 1
 Br  -2.431600      -3.993500      0.3931000    
 Br  -7.490400      -1.520100     -0.1921000    
 S   0.5855000       2.537800      0.8791000    
 O   0.5045000      0.1016000     -2.0500001E-02
 O   -3.669600       2.318500     -0.2214000    
 O    7.392300     -0.5537000      0.9620000    
 O    7.345600     -0.6624000      -1.230100    
 N   -1.553500       1.289700     -7.3799998E-02
 N   -1.418800      -1.081100      0.1306000    
 N   -1.279400       3.683100     -0.4968000    
 N    6.763400     -0.6636000     -0.1184000    
 C   -3.611300     -8.0000004E-03 -9.7499996E-02
 C   -2.817200      -1.145600      7.4100003E-02
 C  -0.8543000      8.0300003E-02  3.8600001E-02
 C   -2.957300       1.319600     -0.1610000    
 C    1.088600      -1.185900      2.9999999E-02
 C   -5.005000     -0.1158000     -0.1769000    
 C    2.582100      -1.048000     -9.4999997E-03
 C   -3.438500      -2.396900      0.1648000    
 C  -0.8918000       2.537300      9.9999998E-03
 C   -5.609300      -1.368900     -8.5900001E-02
 C   -4.827300      -2.508600      8.6400002E-02
 C    3.293200     -0.9256000       1.178900    
 C    3.241200      -1.044600      -1.233600    
 C    4.681800     -0.7978000       1.142500    
 C    4.629800     -0.9170000      -1.269900    
 C    5.350100     -0.7936000     -8.1799999E-02
 C   0.7393000       4.215700      0.5594000    
 C  -0.3420000       4.646800     -0.1803000    
 H   0.8093000      -1.710300      0.9543000    
 H   0.7657000      -1.795400     -0.8250000    
 H   -5.620500      0.7711000     -0.3066000    
 H   -5.301800      -3.485000      0.1579000    
 H    2.782300     -0.9248000       2.137900    
 H    2.689600      -1.137400      -2.165100    
 H    5.209900     -0.7029000       2.087900    
 H    5.116600     -0.9170000      -2.241700    
 H    1.583800       4.787700      0.9159000    
 H  -0.4956000       5.662700     -0.5182000    


%chk=000063929-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000063929

0 1
Br -2.781643 -4.148289 0.551017
Br -7.705509 -1.311458 -0.523588
S -0.803624 3.624019 1.255390
O 0.403691 0.002548 0.546469
O -3.504987 2.373892 -0.360214
O 7.608470 -1.157251 -0.014930
O 7.023288 0.542580 -1.418946
N -1.542793 1.154917 0.080840
N -1.582178 -1.240356 0.394691
N 0.071861 2.584580 -1.041869
N 6.732379 -0.393865 -0.578722
C -3.689872 -0.036232 -0.075504
C -2.962145 -1.245453 0.179352
C -0.945840 -0.093727 0.340725
C -2.974409 1.257532 -0.138005
C 1.150106 -1.271379 0.732228
C -5.090970 -0.042117 -0.284084
C 2.602478 -0.999262 0.407289
C -3.701875 -2.464904 0.213657
C -0.747441 2.332052 -0.037879
C -5.772398 -1.264110 -0.239735
C -5.090941 -2.483284 0.007519
C 3.605751 -1.799700 1.010865
C 2.970921 0.006168 -0.523117
C 4.963483 -1.613165 0.689330
C 4.325375 0.209748 -0.849381
C 5.303092 -0.605859 -0.239456
C 0.394089 4.517570 0.275125
C 0.719420 3.812673 -0.873387
H 1.009428 -1.609443 1.774408
H 0.702767 -2.033319 0.066159
H -5.597933 0.907449 -0.476232
H -5.638957 -3.428122 0.037695
H 3.327289 -2.571402 1.737806
H 2.194923 0.632624 -0.973349
H 5.753761 -2.217319 1.141927
H 4.636021 0.979378 -1.560669
H 0.754908 5.490445 0.601535
H 1.419416 4.150244 -1.637661


