%chk=000099366.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000099366

0 1
 Br   6.075000     -0.5391000      0.3478000    
 S   0.7552000      0.9342000     -0.3106000    
 O   0.7418000       1.576000      0.9894000    
 O    1.082200       1.687000      -1.506300    
 N  -0.7200000      0.1270000     -0.5769000    
 C   -1.445900     -0.4189000      0.5721000    
 C   -2.394600      0.6386000       1.152200    
 C   -2.224000      -1.675800      0.1604000    
 C   -3.571400      0.9515000      0.2271000    
 C   -3.400300      -1.368100     -0.7673000    
 C   -4.327500     -0.3143000     -0.1677000    
 C    1.875000     -0.4446000     -0.2285000    
 C    3.304600      1.5600000E-02  1.0100000E-02
 C    4.250000      -1.169100      9.8200001E-02
 H  -0.7273000     -0.7136000       1.345800    
 H   -1.859400       1.568600       1.372100    
 H   -2.788600      0.2718000       2.108800    
 H   -2.606300      -2.169400       1.063100    
 H   -1.553700      -2.391200     -0.3315000    
 H   -3.208500       1.457700     -0.6755000    
 H   -4.255800       1.646600      0.7266000    
 H   -3.965900      -2.287600     -0.9566000    
 H   -3.032000      -1.020300      -1.739500    
 H   -4.824700     -0.7304000      0.7174000    
 H   -5.115600     -6.4199999E-02 -0.8869000    
 H  -0.8752000     -0.3201000      -1.488400    
 H    1.543600      -1.093600      0.5878000    
 H    1.795900     -0.9884000      -1.175400    
 H    3.358100      0.6057000      0.9335000    
 H    3.616300      0.6869000     -0.7999000    
 H    4.249400      -1.762900     -0.8200000    
 H    4.020800      -1.813900      0.9509000    


%chk=000099366-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000099366

0 1
Br 6.496542 -0.130957 0.056404
S 0.799441 0.588176 0.245448
O 0.836114 0.694921 1.873200
O 0.913905 1.916295 -0.696608
N -0.715734 -0.432950 -0.261456
C -1.742266 -0.513873 0.835179
C -2.590954 0.776111 0.995772
C -2.641973 -1.741829 0.529819
C -3.531456 1.015786 -0.210286
C -3.586882 -1.498902 -0.671937
C -4.431193 -0.215394 -0.477191
C 2.203664 -0.627427 -0.279581
C 3.558928 0.008487 0.058805
C 4.686321 -0.935515 -0.383033
H -1.175846 -0.695659 1.767605
H -1.924411 1.643545 1.161731
H -3.202640 0.666355 1.913665
H -3.248640 -1.941737 1.436404
H -2.003747 -2.626591 0.354159
H -2.938507 1.245617 -1.121823
H -4.150469 1.913266 -0.022924
H -4.249504 -2.375169 -0.804528
H -2.991130 -1.414755 -1.604216
H -5.112804 -0.358052 0.386918
H -5.069814 -0.038615 -1.363712
H -1.074277 0.097992 -1.082940
H 1.971120 -1.540637 0.290286
H 2.028218 -0.776116 -1.357296
H 3.625343 0.194665 1.145505
H 3.656961 0.980557 -0.457133
H 4.706724 -1.096096 -1.472270
H 4.670167 -1.899798 0.148335


