%chk=000082392.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000082392

0 1
 Br   7.583300       1.252300     -2.4200000E-02
 Cl  -3.669400       3.610500      0.3681000    
 S   -1.343900       1.638000      3.5599999E-02
 S   0.3612000      -2.633700      -1.834000    
 S    2.097000      -1.600900       2.325200    
 O  -6.4300001E-02  -1.967500     -0.3975000    
 O    2.218300      -1.260400      0.7229000    
 O    1.345300      -3.855500      -1.389300    
 O    1.888300      -3.217900       2.341100    
 O    1.166600      -1.672600      -2.564400    
 O  -0.8208000      -3.225300      -2.432800    
 O   0.8751000      -1.001400       2.828600    
 O    3.377200      -1.323000       2.949500    
 N    1.645500       1.905300     -0.6948000    
 C    1.191900      0.7127000     -0.2040000    
 C  -0.1928000      0.4011000     -0.1554000    
 C   -2.212400     -0.7845000     -0.1546000    
 C   -2.677700      0.5280000      3.4000000E-03
 C  -0.7800000     -0.8361000     -0.2441000    
 C    2.278100     -2.9800000E-02  0.1897000    
 C    3.444500      0.7423000     -7.1999997E-02
 C   -4.078100      0.8114000      0.1139000    
 C    3.019600       1.951600     -0.6263000    
 C   -4.993900     -0.2682000      5.9900001E-02
 C   -3.158200      -1.834100     -0.2035000    
 C   -4.525500      -1.571700     -9.7300000E-02
 C    4.825100      0.5277000      0.1103000    
 C    3.910100       2.961200      -1.008900    
 C   -4.568100       2.126900      0.2734000    
 C   -6.368600     -4.4999998E-03  0.1667000    
 C    5.727400       1.528500     -0.2678000    
 C    5.274700       2.725800     -0.8186000    
 C   -5.939000       2.363000      0.3772000    
 C   -6.836500       1.300800      0.3243000    
 H    1.063000       2.648600      -1.056100    
 H   -2.826600      -2.863100     -0.3211000    
 H   -5.219000      -2.409400     -0.1391000    
 H    5.175600     -0.4071000      0.5397000    
 H    3.558400       3.893500      -1.437600    
 H   -7.092300     -0.8164000      0.1283000    
 H    5.979700       3.501300      -1.110700    
 H   -6.339100       3.367200      0.5006000    
 H   -7.903600       1.486900      0.4054000    
 H    1.720100      -4.386500      -2.130700    
 H    1.787200      -3.621500       3.235000    


%chk=000082392-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000082392

0 1
Br 7.401529 -0.730954 -1.034256
Cl -3.660104 3.352500 -0.203866
S -1.380940 1.481134 -0.997176
S 1.100518 -1.224512 -3.619966
S 0.250933 -0.998573 2.813980
O -0.316843 -2.298411 -1.515831
O 1.769665 -1.974714 0.720380
O 2.598621 -1.939799 -2.868521
O -1.085711 0.011448 3.519939
O 0.752701 0.284259 -2.300947
O 1.617817 -0.245917 -4.776985
O 0.115495 0.390894 1.318711
O 1.606655 -0.657716 3.595154
N 1.767818 1.508185 -0.041479
C 0.940370 0.320074 0.169109
C 0.007974 0.101341 -1.129173
C -2.084450 -1.066300 -0.376262
C -2.550431 0.265645 -0.288264
C -0.783960 -1.230514 -1.025616
C 2.035447 -0.833834 0.260798
C 3.292388 -0.234907 -0.159880
C -3.841418 0.548172 0.282352
C 3.082939 1.173417 -0.318522
C -4.609562 -0.592962 0.785680
C -2.859312 -2.171720 0.086994
C -4.091913 -1.930319 0.672296
C 4.561781 -0.826757 -0.352264
C 4.160823 2.012744 -0.694355
C -4.468657 1.834451 0.413877
C -5.890245 -0.386014 1.386941
C 5.615943 0.019291 -0.728965
C 5.423062 1.421182 -0.897845
C -5.720949 2.017671 0.999809
C -6.437899 0.891912 1.497580
H 1.347158 2.422952 -0.197705
H -2.450737 -3.180724 -0.025330
H -4.699377 -2.755427 1.058330
H 4.694577 -1.903134 -0.214319
H 4.030021 3.090354 -0.829185
H -6.438515 -1.257508 1.759936
H 6.271123 2.047949 -1.190467
H -6.146310 3.022197 1.071548
H -7.418468 1.043020 1.959413
H 3.382122 -1.362077 -3.114948
H -0.988279 0.935505 3.143303


