%chk=000006451.chk
%nprocshared=8
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000006451

0 1
 Br   2.704400      -3.302600       2.479000    
 Br  -2.709900      -3.883500      -1.876200    
 Br   5.084600     -0.3288000      -1.795500    
 Br  -4.875500     -8.1799999E-02   1.816600    
 S  -0.2143000       2.633400      -1.815600    
 O   1.0100000E-02   1.015700      -1.658000    
 O   -1.571900       2.887900      -2.247400    
 O   0.9447000       3.214400      -2.458500    
 O    4.852100      -2.392900      0.4935000    
 O   -4.734500      -2.601000      3.1199999E-02
 C   1.8800000E-02  0.5227000     -0.2749000    
 C   2.0099999E-02   1.788900      0.5856000    
 C    1.312400     -0.2763000     -4.9400002E-02
 C   -1.253700     -0.3358000     -0.2081000    
 C  -0.1194000       2.979100     -0.1251000    
 C    1.397300      -1.255600      0.9434000    
 C   -1.374200      -1.514500     -0.9483000    
 C   0.1552000       1.869500       1.968500    
 C  -0.1336000       4.234800      0.4466000    
 C    2.420700     -1.2200000E-02 -0.8574000    
 C   -2.306700      7.7500001E-02  0.6113000    
 C   0.1397000       3.126000       2.587700    
 C  -4.4999998E-03   4.299700       1.831200    
 C    2.583400      -1.966400       1.126900    
 C   -2.540700      -2.275500     -0.8693000    
 C   0.1958000      -1.520500       1.797100    
 C  -0.2318000      -1.936500      -1.819800    
 C    3.606800     -0.7228000     -0.6740000    
 C   -3.473200     -0.6833000      0.6905000    
 C    3.688300      -1.699900      0.3181000    
 C   -3.590300      -1.859800     -4.9800001E-02
 H   0.3110000       1.011300       2.605200    
 H  -0.2353000       5.134800     -0.1480000    
 H    2.382300      0.7540000      -1.626700    
 H   -2.266200      0.9957000       1.186600    
 H   0.2515000       3.195100       3.666600    
 H  -8.6000003E-03   5.264300       2.331200    
 H  -0.3616000      -2.387800       1.430100    
 H   0.5114000      -1.774600       2.816000    
 H  -0.4691000     -0.6989000       2.011800    
 H   0.3442000      -1.133000      -2.272700    
 H   0.4285000      -2.632300      -1.294000    
 H  -0.5903000      -2.458100      -2.713500    
 H    4.726900      -3.026100       1.221300    
 H   -4.639500      -3.378400     -0.5457000    


%chk=000006451-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000006451

0 1
Br 3.097291 -3.235240 2.489692
Br -3.014326 -4.014180 -1.711979
Br 5.161735 0.123319 -1.729368
Br -5.119774 0.157816 1.686468
S 0.046948 2.771946 -1.979753
O -0.039235 0.873347 -1.765221
O -1.282237 3.308023 -2.717861
O 1.493557 3.165206 -2.591414
O 5.145998 -1.995503 0.493431
O -5.020814 -2.487598 0.122657
C -0.057496 0.450586 -0.327884
C -0.050771 1.737766 0.537103
C 1.283535 -0.300874 -0.033776
C -1.355605 -0.373252 -0.218359
C -0.000251 2.970612 -0.122543
C 1.453355 -1.285236 0.991396
C -1.501816 -1.596166 -0.952942
C -0.021573 1.771478 1.953017
C 0.058669 4.225233 0.502982
C 2.398848 0.101953 -0.813803
C -2.446506 0.131105 0.530679
C 0.030175 3.010232 2.627598
C 0.066505 4.234238 1.914905
C 2.755868 -1.833792 1.132026
C -2.728709 -2.283690 -0.800552
C 0.365281 -1.773345 1.934024
C -0.435995 -2.148242 -1.879997
C 3.668128 -0.457470 -0.629094
C -3.654712 -0.571385 0.634019
C 3.879028 -1.456523 0.352615
C -3.821567 -1.814587 -0.020501
H -0.035164 0.841545 2.527263
H 0.101418 5.152952 -0.075239
H 2.265695 0.852429 -1.597046
H -2.361566 1.088940 1.047750
H 0.047101 3.021498 3.722154
H 0.109125 5.186077 2.453069
H 0.153261 -2.846029 1.767424
H 0.694182 -1.680357 2.985550
H -0.581303 -1.234101 1.815565
H 0.333883 -1.402113 -2.109888
H 0.052290 -3.041059 -1.445494
H -0.889945 -2.461373 -2.836615
H 5.153620 -2.685763 1.211054
H -5.010731 -3.332524 -0.405010


