%chk=000173861.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000173861

0 1
 Br -0.1591000       4.870600      0.1676000    
 Cl  -1.460200      -1.378900      -2.258700    
 S    1.720100       2.315200     -5.7599999E-02
 O    5.180000      1.5200000E-02  -1.586400    
 N    2.022200     -0.3101000      0.2639000    
 N  -0.6089000      -1.617200       1.204300    
 N    2.827400      -2.330600      0.6407000    
 N    3.743500      -1.638000     -0.1117000    
 C    1.135500      0.7597000      0.2769000    
 C  -0.2226000      0.7048000      0.5326000    
 C    1.819200      -1.522200      0.8896000    
 C   -1.022400     -0.5190000      0.6747000    
 C   0.6959000      -1.750700       1.828900    
 C    3.268600     -0.4281000     -0.2996000    
 C  -0.7508000       2.047100      0.5514000    
 C   -2.411000     -0.5015000      0.1434000    
 C    3.969700      0.5952000      -1.102700    
 C   0.1919000       3.007300      0.2555000    
 C   -2.699300     -0.8738000      -1.166900    
 C   -3.431500     -9.7900003E-02   1.000700    
 C   -4.017000     -0.8423000      -1.623200    
 C   -4.749300     -6.6299997E-02  0.5443000    
 C   -5.042100     -0.4384000     -0.7676000    
 H   0.7747000      -2.767900       2.229800    
 H   0.7764000      -1.081000       2.694200    
 H   -1.787900       2.291200      0.7462000    
 H    3.390200      0.9227000      -1.970000    
 H    4.276800       1.448200     -0.4943000    
 H   -3.217100      0.1924000       2.026000    
 H   -4.262200      -1.128900      -2.642700    
 H   -5.547300      0.2477000       1.210700    
 H   -6.068100     -0.4137000      -1.122900    
 H    4.939100     -0.6938000      -2.207600    


%chk=000173861-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000173861

0 1
Br -0.142504 5.045920 0.018978
Cl -1.410390 0.344486 -2.412567
S 1.868641 2.530011 0.062656
O 4.997671 -0.535194 -2.044826
N 2.068193 -0.261247 0.339215
N -0.618971 -1.440277 1.422257
N 2.811188 -2.300911 0.981948
N 3.680477 -1.778435 -0.023655
C 1.219058 0.855450 0.308581
C -0.165131 0.840991 0.493215
C 1.859503 -1.379242 1.190444
C -0.979454 -0.393352 0.709386
C 0.697320 -1.417926 2.132616
C 3.221195 -0.570067 -0.395244
C -0.744773 2.167808 0.423733
C -2.368664 -0.429247 0.139919
C 3.902482 0.231687 -1.474510
C 0.178028 3.164668 0.202457
C -2.705307 -0.091241 -1.194915
C -3.428016 -0.857215 0.987922
C -4.029456 -0.142351 -1.672379
C -4.759654 -0.912549 0.532342
C -5.063799 -0.545727 -0.799158
H 0.775746 -2.335370 2.734252
H 0.746721 -0.538582 2.812457
H -1.815337 2.351327 0.529204
H 3.177503 0.488483 -2.273788
H 4.300609 1.182281 -1.061480
H -3.169708 -1.152355 2.009507
H -4.242103 0.114219 -2.714028
H -5.555040 -1.241317 1.208656
H -6.094840 -0.583941 -1.165745
H 5.063213 -1.393786 -1.537952


