%chk=000005121.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000005121

0 1
 Br   5.447000      0.6658000      0.7133000    
 S   -3.700200       1.467200     -0.4816000    
 N   -2.459300     -0.6488000      0.2987000    
 N   -1.209300      0.5741000      -1.183700    
 C   -1.198500      -1.311500      0.4330000    
 C  -0.4212000     -0.6522000     -0.7509000    
 C   -3.530900     -0.6072000       1.257100    
 C   -2.320400      0.4186000     -0.5252000    
 C   -4.603000      0.2916000      0.6179000    
 C    1.009700     -0.3297000     -0.3931000    
 C    1.330300      0.9120000      0.1561000    
 C    2.012700      -1.274600     -0.6122000    
 C    2.652700       1.208700      0.4861000    
 C    3.335100     -0.9779000     -0.2822000    
 C    3.655100      0.2637000      0.2669000    
 H   -1.280500      -2.395300      0.3066000    
 H  -0.7412000      -1.092800       1.404400    
 H  -0.4305000      -1.331800      -1.614600    
 H   -3.179200     -0.1656000       2.196800    
 H   -3.927000      -1.604400       1.472100    
 H   -5.274500     -0.3031000     -9.9999998E-03
 H   -5.194400      0.8238000       1.367600    
 H   0.5667000       1.660600      0.3482000    
 H    1.775400      -2.246100      -1.037600    
 H    2.885100       2.179800      0.9156000    
 H    4.104100      -1.725500     -0.4589000    


%chk=000005121-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000005121

0 1
Br 5.588996 0.547202 0.813149
S -3.821232 1.588877 -0.271656
N -2.560056 -0.739261 0.198511
N -1.224720 0.734803 -1.028144
C -1.199839 -1.316383 0.344094
C -0.420033 -0.525716 -0.789723
C -3.593687 -0.721117 1.245875
C -2.375159 0.506413 -0.450310
C -4.711769 0.192168 0.690453
C 1.033137 -0.246961 -0.435013
C 1.451982 1.042642 -0.030694
C 1.986856 -1.294577 -0.479079
C 2.794690 1.286194 0.338264
C 3.332454 -1.071759 -0.110678
C 3.717239 0.221619 0.298330
H -1.192596 -2.406062 0.178343
H -0.777581 -1.095168 1.349131
H -0.455628 -1.123534 -1.723950
H -3.194716 -0.318210 2.204607
H -3.990636 -1.735249 1.429245
H -5.357436 -0.342043 -0.022173
H -5.311232 0.654009 1.488154
H 0.720259 1.856241 -0.031422
H 1.687543 -2.297011 -0.810205
H 3.113739 2.286820 0.644041
H 4.063227 -1.884536 -0.148747


