%chk=000063662.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000063662

0 1
 Br  -2.471200       4.312500      7.5900003E-02
 Br  -7.604400       1.923200      0.1321000    
 S    1.222300       1.306600     -0.5572000    
 S    3.990100       2.114500      -1.218300    
 O   0.9029000       2.672500     -0.1669000    
 O   0.9925000      0.8453000      -1.918600    
 O   -3.858300      -1.984000      0.3775000    
 O   -1.006600      -2.285400      -1.995600    
 N   -1.717700      -1.001600      0.4165000    
 N   -1.540200       1.368900      0.3153000    
 N    3.491300      0.3472000      0.5928000    
 C   0.5098000      0.1772000      0.5747000    
 C  -0.9961000      0.1945000      0.4089000    
 C   -3.757200      0.3401000      0.3168000    
 C   -3.128600     -0.9954000      0.3931000    
 C   -1.070200      -2.284600      0.4028000    
 C   -2.934000       1.464500      0.2563000    
 C    2.988200       1.145300     -0.2729000    
 C  -0.7334000      -2.887500     -0.8034000    
 C   -5.150400      0.4717000      0.2800000    
 C  -0.7868000      -2.909300       1.611900    
 C   -3.522700       2.730700      0.1584000    
 C    5.336500       1.414900     -0.3994000    
 C    4.870300      0.4875000      0.5373000    
 C   -5.724000       1.738600      0.1831000    
 C   -4.911100       2.867900      0.1211000    
 C  -0.1045000      -4.132600     -0.8007000    
 C  -0.1579000      -4.154400       1.614500    
 C   0.1832000      -4.766100      0.4083000    
 C    6.706600       1.668400     -0.5733000    
 C    5.810800     -0.2094000       1.326700    
 C    7.616200      0.9652000      0.2205000    
 C    7.176200      3.7999999E-02   1.158800    
 C  -0.6216000      -2.984800      -3.177000    
 H   0.9514000     -0.8014000      0.3910000    
 H   0.7529000      0.5051000       1.589800    
 H   -5.788900     -0.4073000      0.3240000    
 H   -1.047900      -2.440400       2.556800    
 H   -5.360900       3.855600      4.5100000E-02
 H   0.1904000      -4.668500      -1.696100    
 H   6.6399999E-02  -4.647400       2.555900    
 H   0.6730000      -5.735600      0.4118000    
 H    7.057400       2.390900      -1.303800    
 H    5.478100     -0.9359000       2.062600    
 H    8.681300       1.146500      0.1018000    
 H    7.898300     -0.4994000       1.767400    
 H  -0.9139000      -2.361600      -4.028800    
 H   -1.159800      -3.933200      -3.279100    
 H   0.4649000      -3.111200      -3.235800    


%chk=000063662-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000063662

0 1
Br -0.204369 3.787448 1.062504
Br -5.961870 3.670581 0.542390
S 1.747596 -0.918423 -1.230794
S 3.275075 1.881831 -1.536092
O 0.903753 -0.031123 -2.309438
O 2.434794 -2.329521 -1.677584
O -4.033251 -1.546654 0.203169
O -0.799725 -2.508124 -1.932627
N -1.688736 -1.433093 0.404524
N -0.551621 0.681964 0.704917
N 3.927380 0.023301 0.313492
C 0.799712 -1.278337 0.544770
C -0.534371 -0.639139 0.554709
C -3.009473 0.634976 0.491025
C -3.000854 -0.839813 0.348259
C -1.611932 -2.879746 0.265789
C -1.774966 1.342418 0.672183
C 3.108384 0.289087 -0.662083
C -1.174688 -3.436617 -0.969338
C -4.251992 1.310962 0.448971
C -2.022186 -3.714818 1.320885
C -1.840711 2.763987 0.814863
C 4.669089 2.185223 -0.402797
C 4.844175 1.082222 0.501046
C -4.263096 2.704007 0.591458
C -3.066779 3.445332 0.774915
C -1.135598 -4.843386 -1.122792
C -1.985481 -5.118585 1.167294
C -1.541608 -5.673040 -0.054355
C 5.503237 3.318694 -0.345355
C 5.870995 1.117296 1.473673
C 6.523118 3.337159 0.631286
C 6.704964 2.249154 1.529990
C -0.351538 -2.993503 -3.249736
H 0.837145 -2.373979 0.580722
H 1.501104 -0.783965 1.229818
H -5.163719 0.724586 0.307304
H -2.382169 -3.261752 2.250200
H -3.097798 4.532216 0.882237
H -0.791305 -5.286960 -2.061099
H -2.305127 -5.767932 1.987691
H -1.510746 -6.760691 -0.181163
H 5.373200 4.161525 -1.030435
H 5.997092 0.270232 2.153881
H 7.185440 4.206858 0.695498
H 7.506285 2.294827 2.274449
H -0.106203 -2.075812 -3.801029
H -1.164408 -3.551210 -3.750545
H 0.556479 -3.613363 -3.144052


