%chk=000037629.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000037629

0 1
 Br  -7.356400     -0.9364000      0.1153000    
 S  -0.3993000       2.636100       1.256900    
 O    1.017600      9.4700001E-02  -2.191800    
 N    3.106600     -0.3664000     -0.2612000    
 C    1.688200     -0.4195000      8.5199997E-02
 C   0.8531000      0.4969000     -0.8273000    
 C    3.885000      -1.223200      0.6335000    
 C    3.597000       1.010700     -0.2032000    
 C  -0.6036000      0.4558000     -0.4836000    
 C    3.371400      -2.660600      0.5714000    
 C    5.063600       1.069900     -0.6271000    
 C   -1.198400       1.360600      0.4141000    
 C   -2.562500       1.306900      0.7221000    
 C   -1.393300     -0.5240000      -1.085200    
 C    4.185800      -3.578200       1.484100    
 C    5.590800       2.504900     -0.5942000    
 C   -3.358200      0.2916000      9.2500001E-02
 C   -2.757600     -0.6200000     -0.8119000    
 C   -2.904400       2.344500       1.663900    
 C    3.658400      -5.003900       1.455200    
 C    7.059800       2.568100     -0.9808000    
 C   -4.740100      0.1825000      0.3597000    
 C   -3.549100      -1.608200      -1.419200    
 C   -1.833700       3.124300       2.029500    
 C   -5.507200     -0.8072000     -0.2555000    
 C   -4.913400      -1.700100      -1.142300    
 H    1.521900     -0.1610000       1.139200    
 H    1.292500      -1.425800     -8.3600000E-02
 H    1.158800       1.543000     -0.7837000    
 H    3.855700     -0.8564000       1.667700    
 H    4.932500      -1.279800      0.3258000    
 H    3.472100       1.439800      0.7994000    
 H    3.080500       1.661400     -0.9124000    
 H    3.406200      -3.035200     -0.4592000    
 H    2.338300      -2.740400      0.9229000    
 H    5.186000      0.6529000      -1.634600    
 H    5.707900      0.5008000      4.9300000E-02
 H  -0.9464000      -1.244500      -1.768800    
 H    4.154000      -3.205300       2.514500    
 H    5.236400      -3.577700       1.171100    
 H    5.466100       2.926300      0.4102000    
 H    5.011300       3.130800      -1.282900    
 H    1.970400      9.8200001E-02  -2.385300    
 H   -3.898800       2.511900       2.058500    
 H    4.259400      -5.643300       2.109300    
 H    2.620400      -5.046600       1.800000    
 H    3.701800      -5.417700      0.4426000    
 H    7.413600       3.603600     -0.9566000    
 H    7.674300       1.983600     -0.2886000    
 H    7.216400       2.179400      -1.992100    
 H   -5.221500      0.8714000       1.050200    
 H   -3.109400      -2.318600      -2.116500    
 H   -1.832400       3.959100       2.716100    
 H   -5.498400      -2.476400      -1.629100    


%chk=000037629-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000037629

0 1
Br -7.400176 -1.379669 -0.077472
S -0.678847 2.947913 1.164023
O 1.380306 -0.182475 -1.658230
N 3.123205 -0.029927 0.316570
C 1.712419 0.233188 0.715488
C 0.911518 0.659299 -0.568721
C 3.746485 -1.174932 1.044693
C 3.962026 1.206556 0.314425
C -0.587840 0.505105 -0.380061
C 3.268226 -2.551323 0.538587
C 5.151019 1.140066 -0.666360
C -1.342360 1.448309 0.383163
C -2.738403 1.327024 0.609416
C -1.278951 -0.572958 -0.933254
C 3.915224 -3.718760 1.319321
C 5.998527 2.433239 -0.646193
C -3.445186 0.198368 0.048387
C -2.690430 -0.755250 -0.736175
C -3.272516 2.417201 1.402333
C 3.447373 -5.101074 0.815803
C 7.200087 2.370265 -1.613691
C -4.849975 -0.001693 0.234252
C -3.378580 -1.872548 -1.309694
C -2.329213 3.349964 1.773872
C -5.469464 -1.109757 -0.342935
C -4.751179 -2.060614 -1.122734
H 1.626718 1.003161 1.511188
H 1.274237 -0.705056 1.096418
H 1.136990 1.729257 -0.789621
H 3.564139 -1.093554 2.143364
H 4.840617 -1.108191 0.900618
H 4.332773 1.432202 1.343549
H 3.312130 2.052878 0.020340
H 3.509141 -2.638731 -0.539334
H 2.165506 -2.629373 0.619159
H 4.761438 0.960605 -1.687710
H 5.803530 0.278337 -0.420590
H -0.710673 -1.278638 -1.547388
H 3.675402 -3.617403 2.397676
H 5.019471 -3.649097 1.237810
H 6.362662 2.618144 0.385266
H 5.355570 3.297617 -0.909779
H 2.330566 -0.393537 -1.359441
H -4.323562 2.509117 1.685062
H 3.923213 -5.920620 1.384700
H 2.351334 -5.209853 0.918732
H 3.698304 -5.239839 -0.252471
H 7.791539 3.303508 -1.584600
H 7.875235 1.533626 -1.352540
H 6.862704 2.215936 -2.655686
H -5.433797 0.708927 0.825396
H -2.810160 -2.592837 -1.908821
H -2.459155 4.257474 2.360873
H -5.269467 -2.916277 -1.563486


