%chk=000036255.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000036255

0 1
 Br   7.828500       1.077900       1.139800    
 Br   3.773600      -3.650300     -0.2600000    
 S  -0.4501000       2.323000       1.293400    
 O   -3.359000      -2.652600       2.186700    
 O   -3.395300       3.897800     -4.9400002E-02
 O   -2.118900       3.315000      -1.737700    
 O   -4.542800      -2.034500      -1.728200    
 O   -5.820900      -1.454300     -4.0199999E-02
 N    4.419000     -0.5654000     -0.6483000    
 N   -2.747300       3.038000     -0.6899000    
 N   -4.748200      -1.372800     -0.6837000    
 N   -2.013100      -3.254400      0.4303000    
 C    3.271700      0.1154000     -0.1909000    
 C    5.667200     -0.4736000      8.2800001E-02
 C    4.368800      -1.354400      -1.863200    
 C    2.322100      0.5736000      -1.104300    
 C    3.086800      0.3306000       1.174900    
 C    1.002100       1.461700      0.7142000    
 C    6.141900      0.9642000      0.1688000    
 C    3.343100      -2.465500      -1.747100    
 C    1.187200       1.246600     -0.6517000    
 C    1.952000       1.003900       1.627300    
 C   -1.748900       1.250400      0.6825000    
 C   -2.723800       1.697600     -0.2093000    
 C   -2.753500     -0.9468000      0.6798000    
 C   -1.763300     -7.1800001E-02   1.127000    
 C   -3.728700     -0.4996000     -0.2119000    
 C   -3.713700      0.8224000     -0.6566000    
 C   -2.736500      -2.321900       1.164700    
 H    6.446700      -1.069200     -0.4101000    
 H    5.570900     -0.9218000       1.079200    
 H    4.157300     -0.7243000      -2.734500    
 H    5.348100      -1.803200      -2.073000    
 H    2.435900      0.4455000      -2.176100    
 H    3.791100     -2.5500000E-02   1.920000    
 H    5.456700       1.624000      0.7057000    
 H    6.328900       1.387000     -0.8230000    
 H    3.350200      -3.093100      -2.643100    
 H    2.321100      -2.120300      -1.577200    
 H   0.4658000       1.603200      -1.382500    
 H    1.822000       1.158400       2.695700    
 H   -1.014300     -0.4332000       1.829000    
 H   -4.475100       1.170000      -1.352900    
 H   -1.971800      -4.226600      0.7175000    
 H   -1.505100      -3.001300     -0.4113000    


%chk=000036255-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000036255

0 1
Br 7.331218 0.212782 2.667437
Br 4.833129 -4.005559 -1.027684
S -0.602182 2.718093 -0.312582
O -0.651941 -2.310813 0.920477
O -5.056354 3.423764 -0.011307
O -2.900705 4.133077 -0.255168
O -5.100394 -2.582217 -0.033341
O -6.075575 -0.981838 1.245161
N 4.551741 -0.565809 -0.504110
N -3.786223 3.205253 -0.078163
N -5.084435 -1.423989 0.556104
N -2.564472 -3.436383 0.268445
C 3.352301 0.165254 -0.456700
C 5.375411 -0.766703 0.705945
C 5.040973 -1.139809 -1.767360
C 2.567516 0.388186 -1.634647
C 2.870707 0.724308 0.771329
C 0.903715 1.649084 -0.355771
C 6.259938 0.468902 0.963607
C 4.333874 -2.433565 -2.209234
C 1.369559 1.123517 -1.581542
C 1.667797 1.449471 0.816707
C -1.914726 1.476656 -0.034857
C -3.299437 1.816283 0.051154
C -2.538758 -0.925178 0.307497
C -1.593482 0.105088 0.119907
C -3.916440 -0.525784 0.372196
C -4.274951 0.830517 0.272796
C -1.862659 -2.292609 0.532043
H 6.006009 -1.659020 0.563818
H 4.738494 -0.977952 1.582339
H 4.932269 -0.401721 -2.589449
H 6.123196 -1.333543 -1.670887
H 2.882081 -0.006260 -2.604211
H 3.426124 0.592079 1.703357
H 5.674173 1.386565 1.120887
H 7.006490 0.622750 0.169552
H 4.643197 -2.733534 -3.223105
H 3.238638 -2.365961 -2.137421
H 0.794110 1.283715 -2.499507
H 1.322686 1.859306 1.771572
H -0.544873 -0.206338 0.134845
H -5.321311 1.136924 0.353666
H -2.086790 -4.323430 0.429079
H -3.541239 -3.403761 -0.049675


