%chk=000013316.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000013316

0 1
 Br  -4.347300       3.365400      -1.430000    
 S   -2.118000      -1.855600       1.714400    
 N    4.291800       2.223600      3.4800000E-02
 C  -0.2256000      0.1811000     -0.4198000    
 C   0.6738000       1.107600      0.4162000    
 C   0.3207000      -1.234000     -0.5179000    
 C    2.074100       1.175500     -0.1775000    
 C   -1.705700      0.3787000     -9.2100002E-02
 C   0.3302000      -2.134100      0.5597000    
 C    2.974200       2.130200      0.5998000    
 C   -2.523100     -0.3876000      0.7646000    
 C  -0.3211000      -1.795500       1.864300    
 C   0.8951000      -1.646200      -1.738700    
 C   -2.295600       1.505100     -0.7278000    
 C   0.9026000      -3.410200      0.3969000    
 C   -3.881000     -1.6799999E-02  0.9228000    
 C    1.460200      -2.912900      -1.887600    
 C   -3.632300       1.856100     -0.5507000    
 C    1.465900      -3.795800     -0.8170000    
 C   -4.429500       1.089000      0.2768000    
 C    4.992000      0.9303000      8.8900000E-02
 C    5.098600       3.246100      0.7199000    
 H  -0.1443000      0.5625000      -1.450500    
 H   0.2528000       2.121900      0.4240000    
 H   0.7331000      0.8104000       1.464700    
 H    2.506300      0.1716000     -0.1562000    
 H    2.022400       1.492900      -1.226800    
 H    3.013500       1.822200       1.653600    
 H    2.499800       3.120400      0.5844000    
 H  -4.1600000E-02  -2.537900       2.621300    
 H   4.9000001E-03 -0.8433000       2.279400    
 H   0.9155000     -0.9727000      -2.593000    
 H   -1.681000       2.125000      -1.381500    
 H   0.9034000      -4.120000       1.221200    
 H   -4.543200     -0.5939000       1.568500    
 H    1.897000      -3.204700      -2.837900    
 H    1.902600      -4.783900     -0.9256000    
 H   -5.476400       1.331800      0.4364000    
 H    6.031500       1.046100     -0.2411000    
 H    5.005200      0.5078000       1.100100    
 H    4.553100      0.2023000     -0.5998000    
 H    4.611700       4.225500      0.6540000    
 H    5.253000       3.005800       1.778000    
 H    6.077500       3.350100      0.2390000    


%chk=000013316-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000013316

0 1
Br -5.038841 2.167382 -2.177466
S -1.334440 -0.844107 2.394917
N 4.503239 2.190309 0.397598
C -0.165401 0.347930 -0.616309
C 0.728079 1.286968 0.255518
C 0.244171 -1.129454 -0.738953
C 2.234825 1.169094 -0.061388
C -1.646709 0.460049 -0.225267
C 0.415389 -2.000655 0.378945
C 3.072381 2.150160 0.784101
C -2.207086 -0.043287 0.983633
C 0.365793 -1.486077 1.792301
C 0.368198 -1.675758 -2.041336
C -2.517475 1.103714 -1.145618
C 0.681722 -3.376207 0.159839
C -3.598183 0.097802 1.231261
C 0.650017 -3.042996 -2.253023
C -3.887587 1.254149 -0.870880
C 0.802790 -3.903141 -1.143749
C -4.448975 0.752861 0.319018
C 5.214149 0.922065 0.657948
C 5.202295 3.339600 1.009406
H -0.086887 0.754808 -1.643556
H 0.390093 2.323158 0.051310
H 0.542299 1.126549 1.333365
H 2.565732 0.126872 0.110408
H 2.416735 1.387336 -1.132214
H 2.945758 1.897584 1.873166
H 2.664305 3.171089 0.646699
H 0.566274 -2.296001 2.512948
H 1.092231 -0.678609 1.967698
H 0.233682 -1.015048 -2.906622
H -2.103708 1.490896 -2.082488
H 0.800748 -4.038577 1.025938
H -4.024408 -0.313610 2.153032
H 0.742847 -3.432129 -3.272826
H 1.013718 -4.967990 -1.290146
H -5.516533 0.855672 0.531223
H 6.267094 1.020302 0.338859
H 5.206639 0.628633 1.740392
H 4.764373 0.099947 0.076507
H 4.692261 4.278387 0.728190
H 5.245771 3.291829 2.128315
H 6.239423 3.388405 0.631508


