%chk=000063317.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000063317

0 1
 Br   2.568500       3.690900     -0.2176000    
 Br   6.663900     -0.1884000      0.2739000    
 Cl -0.9751000      -1.794000       2.465300    
 S   -1.920500       2.064300      0.3130000    
 O   -1.088200       3.184700     -0.1078000    
 O   -1.927200       1.647100       1.709800    
 O    1.884300      -2.724200     -1.7500000E-02
 N   0.1754000      -1.124900     -0.2837000    
 N   0.7597000       1.180600     -0.3446000    
 C   -3.600800       2.464000     -0.1245000    
 C   -1.546600      0.6773000     -0.6875000    
 C   -4.493600       1.259700      0.1873000    
 C   -4.050400       3.677300      0.6942000    
 C   -3.659200       2.788300      -1.620000    
 C  -0.1253000      0.2337000     -0.4067000    
 C    1.510800      -1.561100     -0.1513000    
 C    2.528300     -0.4898000     -0.1098000    
 C    2.105700      0.8374000     -0.1836000    
 C  -0.8480000      -2.133000     -0.2403000    
 C    3.886400     -0.8008000      2.6699999E-02
 C    3.062100       1.857500     -0.1195000    
 C   -1.436000      -2.509700      0.9620000    
 C   -1.239200      -2.725900      -1.436200    
 C    4.828800      0.2246000      8.8699996E-02
 C    4.417400       1.553300      1.6799999E-02
 C   -2.427000      -3.491300      0.9690000    
 C   -2.230200      -3.707400      -1.429200    
 C   -2.824100      -4.090100     -0.2266000    
 H   -2.267100     -0.1092000     -0.4876000    
 H   -1.590200      0.9656000      -1.739800    
 H   -4.380400      0.9174000       1.221500    
 H   -5.549400       1.522400      4.8500001E-02
 H   -4.302500      0.4081000     -0.4716000    
 H   -3.416700       4.549900      0.4998000    
 H   -4.005900       3.474200       1.770000    
 H   -5.081900       3.957100      0.4524000    
 H   -3.450900       1.917500      -2.248400    
 H   -4.661700       3.136700      -1.896400    
 H   -2.954500       3.579400      -1.897800    
 H    4.211700      -1.836500      8.7200001E-02
 H  -0.7836000      -2.434600      -2.378900    
 H    5.154500       2.352000      6.5800004E-02
 H   -2.900200      -3.800800       1.897400    
 H   -2.539700      -4.173400      -2.360200    
 H   -3.595900      -4.854100     -0.2212000    


%chk=000063317-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000063317

0 1
Br 3.512155 3.473308 -1.220959
Br 6.827804 -0.741996 0.937758
Cl -0.666410 -1.509772 2.617016
S -1.977648 2.113480 0.230176
O -1.497127 3.667369 0.074115
O -1.735897 1.309040 1.632396
O 1.595845 -2.630729 0.462278
N 0.281114 -0.825546 -0.276523
N 1.282064 1.280721 -0.904323
C -3.998796 2.074179 -0.176994
C -1.073227 1.057667 -1.261563
C -4.415210 0.610202 -0.039595
C -4.548284 2.974862 0.936379
C -4.128727 2.681614 -1.574867
C 0.218886 0.491999 -0.796838
C 1.538303 -1.423408 0.108754
C 2.698616 -0.511889 0.031291
C 2.522142 0.816969 -0.476731
C -0.887462 -1.680008 -0.177371
C 3.964517 -0.987516 0.448593
C 3.676970 1.658719 -0.546642
C -1.418967 -2.065121 1.077200
C -1.469969 -2.196263 -1.359583
C 5.063712 -0.124176 0.364725
C 4.936362 1.200286 -0.128795
C -2.539989 -2.917929 1.148116
C -2.595469 -3.043908 -1.297489
C -3.132866 -3.400706 -0.038887
H -1.837240 0.329128 -1.553293
H -0.907861 1.857867 -1.993373
H -4.087719 0.195363 0.930064
H -5.520385 0.551071 -0.080334
H -4.021613 -0.028231 -0.851008
H -4.115760 3.988865 0.882064
H -4.336492 2.553777 1.934609
H -5.646117 3.056423 0.818339
H -3.717178 2.024440 -2.361679
H -5.201958 2.836073 -1.799259
H -3.627157 3.664309 -1.625605
H 4.044561 -2.010958 0.824383
H -1.013849 -1.944371 -2.323599
H 5.807485 1.857501 -0.183981
H -2.933167 -3.205398 2.127511
H -3.032841 -3.438835 -2.219824
H -3.999652 -4.066674 0.024353


