%chk=000178952.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000178952

0 1
 Br   5.774200     -0.3065000      0.1044000    
 S   -4.069800      -1.482600     -0.4615000    
 N   -4.158000       1.579200     -4.1299999E-02
 C   0.8309000       2.007700      0.2198000    
 C  -0.5016000       1.303900      6.7900002E-02
 C  -0.3100000     -8.3800003E-02 -0.1170000    
 C    1.804600      0.8538000      9.9699996E-02
 C    1.110300     -0.3610000     -9.7499996E-02
 C   -1.767800       1.861800      9.4099998E-02
 C   -1.395500     -0.9285000     -0.2783000    
 C    3.186300      0.8949000      0.1627000    
 C    1.802400      -1.552700     -0.2341000    
 C   -2.861800       1.010100     -6.8400003E-02
 C   -2.677700     -0.3710000     -0.2531000    
 C    3.883800     -0.3066000      2.5200000E-02
 C    3.198800      -1.518200     -0.1711000    
 C   -3.849200      -2.600400      0.9486000    
 H   0.9095000       2.480300       1.203100    
 H   0.9827000       2.728700     -0.5887000    
 H   -1.896300       2.929900      0.2374000    
 H   -1.239900      -1.992600     -0.4291000    
 H    3.701400       1.837800      0.3149000    
 H    1.287800      -2.495600     -0.3859000    
 H    3.749000      -2.450600     -0.2774000    
 H   -4.273600       2.575000      9.1300003E-02
 H   -4.968000      0.9846000     -0.1566000    
 H   -4.708600      -3.273400       1.008400    
 H   -3.787000      -2.031500       1.880300    
 H   -2.946300      -3.204900      0.8302000    


%chk=000178952-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000178952

0 1
Br 6.033291 -0.065875 0.020740
S -3.979574 -1.756069 -0.661218
N -4.174986 1.227776 0.004017
C 0.850956 1.946399 0.356173
C -0.456526 1.190849 0.139465
C -0.181091 -0.176542 -0.175112
C 1.906799 0.868555 0.130731
C 1.276343 -0.376306 -0.182198
C -1.769030 1.670253 0.204185
C -1.249985 -1.067227 -0.412792
C 3.305623 0.976791 0.194789
C 2.061806 -1.523375 -0.434148
C -2.860075 0.779513 -0.042586
C -2.576977 -0.597623 -0.338894
C 4.069106 -0.185918 -0.061091
C 3.472477 -1.427106 -0.373027
C -4.417386 -2.207687 1.132327
H 0.914791 2.378956 1.373743
H 0.964482 2.788285 -0.354520
H -1.975489 2.722803 0.433851
H -1.073877 -2.120855 -0.653580
H 3.796146 1.925249 0.433269
H 1.598247 -2.485475 -0.677444
H 4.097253 -2.303940 -0.565620
H -4.386491 2.207109 0.170484
H -4.912540 0.594795 -0.309302
H -5.313400 -2.846551 1.086831
H -4.630073 -1.291573 1.704094
H -3.579221 -2.757407 1.584833


