%chk=000154967.chk
%nprocshared=8
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000154967

0 1
 Br  -5.456400      -2.876600       1.204800    
 S    5.648700     -0.7004000       1.329700    
 O    1.813600       1.065600      -2.866100    
 O    6.874500     -0.3756000       2.034900    
 O    4.673200      -1.594700       1.921100    
 N  -0.3580000      0.5391000      -1.155600    
 N   -4.025700     -0.1852000      0.7393000    
 N    4.908000      0.7686000      0.8203000    
 C   -1.601600      0.2935000     -0.5130000    
 C   -2.078700      -1.016700     -0.4036000    
 C   -2.337900       1.364000      4.4000000E-03
 C   -3.312600      -1.212800      0.2392000    
 C   -3.561800       1.074700      0.6313000    
 C   0.9565000      0.5990000     -0.6742000    
 C   -1.359600      -2.111400     -0.9145000    
 C   -1.882700       2.690600     -9.1499999E-02
 C    2.028800      0.8623000      -1.535600    
 C    3.573700      0.7118000      0.3159000    
 C    1.207900      0.3927000      0.6877000    
 C   -3.792700      -2.514900      0.3512000    
 C   -4.299400       2.136300       1.148500    
 C    3.332300      0.9186000      -1.042400    
 C    2.511400      0.4490000       1.180900    
 C   -1.861800      -3.403300     -0.7896000    
 C   -2.639200       3.733900      0.4337000    
 C   -3.080900      -3.605100     -0.1554000    
 C   -3.850100       3.455800       1.055000    
 C    6.123500      -1.375800     -0.2460000    
 C    1.846800     -8.3099999E-02  -3.710100    
 H  -0.4594000      0.7364000      -2.146800    
 H  -0.4054000      -1.988800      -1.420000    
 H  -0.9428000       2.944000     -0.5751000    
 H   0.4011000      0.1885000       1.387000    
 H   -5.251600       1.944100       1.639900    
 H    4.157900       1.122900      -1.720200    
 H    2.682000      0.2984000       2.243700    
 H   -1.305000      -4.246700      -1.186100    
 H   -2.286200       4.757700      0.3575000    
 H   -3.465000      -4.617800     -6.3100003E-02
 H   -4.448300       4.262600       1.468000    
 H    5.522900       1.410400      0.3019000    
 H    6.765200     -0.6591000     -0.7619000    
 H    6.676600      -2.299600     -6.1900001E-02
 H    5.228200      -1.595300     -0.8299000    
 H    1.091800     -0.8140000      -3.404300    
 H    2.840700     -0.5416000      -3.691900    
 H    1.628600      0.2369000      -4.732600    


%chk=000154967-Freq.chk
%nprocshared=8
%mem=21GB
#p freq=noraman PBEPBE/SDD

000154967

0 1
Br -5.129445 -2.870403 2.121718
S 5.774701 -1.628738 0.863955
O 1.557162 1.507592 -2.594986
O 7.391103 -1.511263 1.033342
O 4.855196 -2.424827 1.945524
N -0.342799 0.710578 -0.977734
N -4.137759 -0.240056 0.798841
N 5.022463 0.319225 0.796752
C -1.569027 0.371536 -0.355560
C -1.850727 -0.953876 0.111777
C -2.583157 1.379569 -0.271771
C -3.162750 -1.189044 0.724848
C -3.872629 1.005269 0.294348
C 0.964223 0.545846 -0.502009
C -0.942219 -2.054838 -0.053148
C -2.385013 2.740096 -0.695066
C 2.021898 0.979801 -1.374426
C 3.701023 0.390388 0.314004
C 1.310136 0.053589 0.785194
C -3.426038 -2.518499 1.236976
C -4.921287 1.987713 0.354936
C 3.365406 0.874937 -0.993535
C 2.652131 -0.019268 1.189547
C -1.263556 -3.318238 0.430545
C -3.421888 3.667706 -0.615499
C -2.508361 -3.553159 1.103620
C -4.706376 3.285659 -0.098254
C 5.431375 -2.482801 -0.841302
C 2.548764 2.025226 -3.540939
H -0.397005 1.282119 -1.827600
H 0.006349 -1.896640 -0.571729
H -1.401375 3.061355 -1.055188
H 0.519727 -0.247691 1.477342
H -5.878667 1.666826 0.776164
H 4.166323 1.189220 -1.672224
H 2.919879 -0.378111 2.186841
H -0.566860 -4.152568 0.301057
H -3.255352 4.702287 -0.934542
H -2.738407 -4.547817 1.495893
H -5.510041 4.027979 -0.046673
H 5.720335 0.760271 0.162219
H 6.077015 -1.986288 -1.578485
H 5.705450 -3.535968 -0.688129
H 4.359709 -2.357761 -1.048226
H 3.228176 1.220235 -3.880050
H 3.135296 2.848001 -3.089592
H 1.967999 2.403731 -4.394278


