%chk=000031581.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000031581

0 1
 Br   2.648600      -3.303700     -0.2143000    
 S   0.9304000       2.828500      0.2980000    
 N   -3.992100     -0.8711000     -0.2041000    
 C  -0.6894000      0.9919000     -0.4474000    
 C   -1.927000      0.3094000     -0.9012000    
 C   0.5572000      0.3210000     -0.2098000    
 C   -2.796400     -0.1808000      0.2673000    
 C    1.543400       1.219400      0.2089000    
 C  -0.6226000       2.344300     -0.2110000    
 C   0.9057000      -1.045700     -0.3338000    
 C    2.852900      0.7911000      0.5033000    
 C    2.203600      -1.473800     -4.2599998E-02
 C    3.165400     -0.5632000      0.3715000    
 C   -4.779600      -1.367300      0.9152000    
 H   -2.516000      0.9974000      -1.523100    
 H   -1.674000     -0.5338000      -1.556400    
 H   -3.084500      0.6788000      0.8858000    
 H   -2.202000     -0.8523000      0.9005000    
 H   -1.413300       3.075000     -0.3116000    
 H   0.1562000      -1.765500     -0.6547000    
 H   -3.722000      -1.653400     -0.7998000    
 H    3.612100       1.496900      0.8280000    
 H    4.177600     -0.8886000      0.6000000    
 H   -5.674700      -1.870000      0.5362000    
 H   -5.111900     -0.5479000       1.561000    
 H   -4.216700      -2.090400       1.514500    


%chk=000031581-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000031581

0 1
Br 2.444713 -3.398725 -0.034350
S 1.082216 3.004549 0.168581
N -3.945852 -0.916383 -0.163664
C -0.695202 1.101839 -0.501411
C -1.981763 0.411462 -0.901670
C 0.551974 0.398961 -0.205887
C -2.697656 -0.275390 0.290812
C 1.618352 1.273547 0.175334
C -0.564886 2.466622 -0.349698
C 0.804231 -0.999927 -0.268706
C 2.903341 0.791838 0.494893
C 2.087350 -1.466166 0.050256
C 3.141556 -0.597667 0.433336
C -4.762822 -1.506541 0.913268
H -2.688477 1.132434 -1.348518
H -1.768816 -0.349768 -1.681413
H -2.959453 0.493366 1.043084
H -1.994622 -0.985337 0.796080
H -1.325431 3.230864 -0.507089
H 0.012508 -1.693770 -0.564626
H -3.773625 -1.583082 -0.928222
H 3.711375 1.470328 0.784981
H 4.128696 -1.000018 0.675968
H -5.663069 -1.978026 0.481019
H -5.102318 -0.706824 1.597468
H -4.231420 -2.271987 1.530575


