%chk=000156509.chk
%nprocshared=8
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000156509

0 1
 Br   5.391500     -0.3969000     -0.2010000    
 S   -2.040700       2.574000     -0.4872000    
 S   -2.491000      -1.475600     -0.3002000    
 O   -1.684300     -0.4866000      0.7510000    
 O   -3.750300      -2.025000      0.5814000    
 O   -3.022700     -0.6679000      -1.382400    
 O   -1.640300      -2.613800     -0.5963000    
 N   0.5505000       1.900100     -0.5399000    
 C   0.7315000     -0.1587000      0.3004000    
 C    1.455000      0.9065000     -0.2402000    
 C  -0.6371000      0.2306000      0.3141000    
 C  -0.7165000       1.500900     -0.2084000    
 C    1.426300      -1.318500      0.6972000    
 C    2.844300      0.8696000     -0.4044000    
 C    2.816000      -1.369500      0.5389000    
 C    3.512000     -0.2912000     -3.8999999E-03
 C   -2.744300       2.821900       1.180700    
 H   0.7871000       2.794800     -0.9456000    
 H   0.8973000      -2.166200       1.122900    
 H    3.374100       1.717000     -0.8282000    
 H    3.341800      -2.269700      0.8492000    
 H   -3.131800       1.877700       1.571700    
 H   -3.564100       3.542100       1.119800    
 H   -1.978900       3.211200       1.857100    
 H   -3.523000      -2.345500       1.485800    


%chk=000156509-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000156509

0 1
Br 5.572724 -0.011990 -0.767151
S -1.286551 2.500552 0.501955
S -2.920384 -1.459949 -0.478558
O -1.122677 -0.690832 1.743570
O -4.402386 -0.710824 0.279823
O -2.098959 0.325915 -0.940854
O -3.360890 -1.913345 -1.952173
N 0.234106 0.914730 -1.151194
C 1.074842 -0.171271 0.716065
C 1.392100 0.445668 -0.537544
C -0.377815 -0.130381 0.890141
C -0.926381 0.750954 -0.290974
C 2.082871 -0.752542 1.513457
C 2.726571 0.506450 -0.998130
C 3.420865 -0.702447 1.072548
C 3.708293 -0.074223 -0.169552
C -2.722943 2.039603 1.622652
H 0.191034 1.450514 -2.015704
H 1.823695 -1.231020 2.463044
H 2.992564 0.974981 -1.948879
H 4.227548 -1.135108 1.668692
H -3.386278 1.344515 1.082780
H -3.254044 2.979301 1.842804
H -2.354010 1.570571 2.546189
H -5.031496 -0.458522 -0.460507


