%chk=000063857.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000063857

0 1
 Br  -7.149600      0.2441000      -1.325600    
 S    2.835900      -1.610100      -1.217100    
 O  -0.3746000      -3.561700     -0.3855000    
 O   -2.576500      -2.126100      0.4667000    
 N   0.8204000      -1.716100      0.4192000    
 N   -1.095400     -0.4417000       1.102100    
 N    2.404100      2.0700000E-02  0.8244000    
 N   -1.703300       1.848800      0.9084000    
 C  -6.2799998E-02  -1.387400       1.496500    
 C    1.974000     -0.9950000      0.1592000    
 C   0.5793000      -2.791100     -0.4479000    
 C    1.637000      -2.925600      -1.513000    
 C   -2.303300     -0.9376000      0.6040000    
 C   -3.290900      0.1003000      0.2285000    
 C   -2.949200       1.448900      0.3967000    
 C  -0.8664000      0.9165000       1.225200    
 C   -4.540300     -0.2642000     -0.2841000    
 C    3.606300      0.5884000      0.3660000    
 C   -3.882000       2.429800      4.1800000E-02
 C    3.591600       1.606600     -0.5829000    
 C   -5.458100      0.7256000     -0.6324000    
 C   -5.130100       2.070400     -0.4700000    
 C    4.812800      0.1168000      0.8751000    
 C    4.793800       2.157600      -1.026600    
 C    2.306800       2.125700      -1.140700    
 C    6.014900      0.6679000      0.4314000    
 C    6.005500       1.688400     -0.5195000    
 H  -0.5352000      -2.304700       1.864900    
 H   0.5157000     -0.9522000       2.319400    
 H    2.119200      -3.902600      -1.430200    
 H    1.181200      -2.807200      -2.499100    
 H   0.1174000       1.180800       1.639000    
 H   -4.799300      -1.312300     -0.4121000    
 H   -3.641100       3.483300      0.1624000    
 H   -5.835300       2.853400     -0.7372000    
 H    4.831200     -0.6760000       1.618400    
 H    4.803900       2.952000      -1.768100    
 H    2.458300       3.052500      -1.705200    
 H    1.854500       1.395700      -1.818500    
 H    1.599900       2.359100     -0.3376000    
 H    6.958300      0.3026000      0.8265000    
 H    6.941600       2.117000     -0.8652000    


%chk=000063857-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000063857

0 1
Br -6.092113 1.109568 -2.500218
S 2.784934 -2.320777 -1.347356
O -0.012835 -4.413262 0.579684
O -2.033739 -2.052395 -0.238137
N 0.868865 -2.229627 0.553369
N -0.881889 -0.641110 1.238805
N 2.102808 -0.210883 0.444238
N -1.448104 1.683277 1.555165
C -0.002206 -1.760349 1.638187
C 1.885829 -1.408713 0.018148
C 0.738049 -3.552494 0.068385
C 1.629634 -3.800295 -1.143143
C -1.909798 -0.903590 0.275711
C -2.756305 0.269316 -0.019607
C -2.501185 1.520016 0.631519
C -0.701148 0.627126 1.804418
C -3.820789 0.141848 -0.949005
C 3.190381 0.608178 0.012604
C -3.331422 2.635032 0.333370
C 2.919060 1.908083 -0.513222
C -4.617539 1.261104 -1.219008
C -4.385103 2.511934 -0.586055
C 4.529387 0.162830 0.177709
C 4.021601 2.721018 -0.871231
C 1.495506 2.393144 -0.698952
C 5.608792 0.996633 -0.181383
C 5.355877 2.281832 -0.710567
H -0.615836 -2.633434 1.922734
H 0.610658 -1.413628 2.486223
H 2.220321 -4.716155 -0.996288
H 0.999996 -3.903449 -2.041562
H 0.142712 0.718338 2.494567
H -3.988839 -0.827544 -1.426907
H -3.126889 3.584010 0.836945
H -5.023605 3.369782 -0.815174
H 4.715642 -0.828305 0.606425
H 3.825330 3.717931 -1.283508
H 1.477987 3.405032 -1.138210
H 0.921753 1.722611 -1.365976
H 0.950172 2.426615 0.261626
H 6.637148 0.644983 -0.044448
H 6.187101 2.937067 -0.992572


