%chk=000166109.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000166109

0 1
 Br  -8.576500      0.9882000     -0.1061000    
 S    1.086700      -4.219700      0.8220000    
 S   -1.747600       2.616000       2.140400    
 O    1.806500       2.401700     -0.2314000    
 O    5.503100      -1.439000     -0.5910000    
 O    1.809200      -4.594100       2.237800    
 O  -0.3471000      -4.216900       1.059900    
 O    1.669600      -5.046900     -0.2199000    
 O  -0.9980000       3.775900       1.267700    
 O  -0.7445000       1.921200       2.929500    
 O   -2.898900       3.236300       2.776100    
 O   -5.784800      -1.260200      -2.051600    
 N  -7.4900001E-02  0.7213000      0.4353000    
 N    3.828200      -3.303500      5.4099999E-02
 N   -5.598400      0.3940000     -0.4079000    
 C    2.270200      8.5900001E-02 -3.3199999E-02
 C    3.235800     -0.9186000     -0.1263000    
 C   0.9553000     -0.2400000      0.3201000    
 C    2.886600      -2.249000      0.1344000    
 C    1.575100      -2.569500      0.4864000    
 C    2.625000       1.493900     -0.3049000    
 C    4.015900       1.823700     -0.6775000    
 C    4.981500      0.8192000     -0.7710000    
 C    4.626700     -0.5887000     -0.4985000    
 C   0.6116000      -1.567200      0.5791000    
 C   -1.465400      0.6529000      0.2374000    
 C   -2.342300       1.469900      0.9574000    
 C    4.365000       3.154200     -0.9383000    
 C    6.296200       1.145200      -1.124900    
 C   -1.976300     -0.2507000     -0.6988000    
 C    5.676300       3.474700      -1.290900    
 C    6.639900       2.472400      -1.383800    
 C   -3.718000       1.383500      0.7429000    
 C   -4.222600      0.4801000     -0.1924000    
 C   -3.351700     -0.3370000     -0.9132000    
 C   -6.292200     -0.4390000      -1.292600    
 C   -7.786900     -0.2575000      -1.256400    
 C   -8.538400      -1.012700      -2.070200    
 H  -0.3981000      -1.814900      0.8923000    
 H   0.2573000       1.637800      0.7169000    
 H    3.634200       3.955800     -0.8732000    
 H    7.067900      0.3843000      -1.205000    
 H    4.787800      -3.113600     -0.1976000    
 H    3.571500      -4.255100      0.2737000    
 H   -1.323400     -0.8804000      -1.297500    
 H    5.946500       4.507100      -1.493100    
 H   -4.412800       2.013100       1.292400    
 H    7.660100       2.724600      -1.658400    
 H   -3.663500      -1.055200      -1.658200    
 H    1.540600      -4.041700       3.009300    
 H   -6.162200       1.024600      0.1583000    
 H   -1.573000       4.267600      0.6352000    
 H   -8.111900      -1.743900      -2.748700    
 H   -9.620500     -0.9217000      -2.083400    


%chk=000166109-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000166109

0 1
Br -8.711148 1.269894 0.387923
S 1.056762 -4.321282 0.522372
S -1.539170 2.881577 1.410266
O 1.733357 2.473332 -0.370441
O 5.717236 -1.355118 -0.291419
O 1.320331 -4.201472 2.349680
O -0.521275 -4.467958 0.213978
O 2.102628 -5.418600 -0.067239
O -0.713710 3.785302 0.027878
O -0.401388 2.332675 2.423163
O -2.745101 3.807415 1.945552
O -6.244894 -1.537289 -1.543806
N -0.090046 0.684302 -0.253773
N 3.981784 -3.247060 -0.042400
N -5.779677 0.383119 -0.269101
C 2.299225 0.122945 -0.237295
C 3.341701 -0.873797 -0.191630
C 0.911342 -0.268985 -0.158730
C 3.024060 -2.277947 -0.031280
C 1.625281 -2.576296 0.137242
C 2.651085 1.551945 -0.344662
C 4.069966 1.945104 -0.423986
C 5.094715 0.956754 -0.406206
C 4.760264 -0.484132 -0.296059
C 0.606944 -1.643744 0.085731
C -1.487648 0.515371 -0.237759
C -2.311404 1.477829 0.406431
C 4.416509 3.318533 -0.521988
C 6.453765 1.351712 -0.486640
C -2.176577 -0.526228 -0.920317
C 5.767559 3.701885 -0.599496
C 6.789249 2.715449 -0.581980
C -3.706842 1.447658 0.392211
C -4.363877 0.387572 -0.285326
C -3.579616 -0.602046 -0.941197
C -6.632073 -0.537002 -0.865850
C -8.113280 -0.299006 -0.674789
C -9.040906 -1.126927 -1.208554
H -0.423247 -1.965550 0.264297
H 0.313232 1.653023 -0.317658
H 3.612603 4.059827 -0.536554
H 7.219732 0.571008 -0.469905
H 4.956788 -2.908693 -0.142115
H 3.717680 -4.238391 -0.004619
H -1.603883 -1.263915 -1.489688
H 6.032426 4.761657 -0.673758
H -4.262312 2.237420 0.912909
H 7.840119 3.017349 -0.642505
H -4.081848 -1.408984 -1.477426
H 1.067882 -5.080952 2.758533
H -6.233387 1.147791 0.243577
H 0.284325 3.720615 0.160140
H -8.690158 -1.986474 -1.791218
H -10.114684 -0.972816 -1.081809


