%chk=000078553.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000078553

0 1
 Br   4.709400     -0.1174000       1.170900    
 S   0.9676000      0.1006000      -1.330300    
 C  -0.6305000      3.9400000E-02 -0.5435000    
 C    2.085300      1.3900000E-02  9.7400002E-02
 C   -1.263200       1.220900     -0.1567000    
 C   -1.248800      -1.190000     -0.3148000    
 C    3.526000      5.3199999E-02 -0.3702000    
 C   -2.513900       1.173200      0.4589000    
 C   -2.499700      -1.237600      0.3007000    
 C   -3.132200     -5.6100000E-02  0.6875000    
 H    1.874800      0.8536000      0.7690000    
 H    1.882400     -0.9112000      0.6483000    
 H  -0.7967000       2.188200     -0.3262000    
 H  -0.7711000      -2.121400     -0.6089000    
 H    3.776000     -0.7802000      -1.033300    
 H    3.785400       1.000700     -0.8515000    
 H   -3.006500       2.092900      0.7603000    
 H   -2.981300      -2.194700      0.4791000    
 H   -4.106000     -9.3300000E-02   1.166900    


%chk=000078553-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000078553

0 1
Br 4.000832 1.869630 -0.536130
S 1.135690 -1.767161 0.176413
C -0.427083 -0.782847 0.208727
C 2.471276 -0.439176 0.423714
C -0.603833 0.366045 1.015060
C -1.500069 -1.268019 -0.578801
C 2.552679 0.449341 -0.809571
C -1.850593 1.032722 1.022654
C -2.748479 -0.606588 -0.550583
C -2.927669 0.549275 0.244430
H 2.260499 0.131891 1.340648
H 3.397796 -1.015381 0.576322
H 0.209515 0.743393 1.643881
H -1.356702 -2.149573 -1.213012
H 2.858444 -0.101600 -1.710321
H 1.630047 1.019936 -0.990450
H -1.978244 1.925449 1.644777
H -3.574094 -0.988947 -1.160792
H -3.893015 1.066309 0.256634


