%chk=000100896.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000100896

0 1
 Br   6.661700       2.443800       1.702400    
 Br  -6.661700       2.444200      -1.702000    
 Br   8.071600     -0.6590000      0.5996000    
 Br  -8.071700     -0.6589000     -0.5997000    
 S   4.8599999E-02  -2.301900      -2.258500    
 S  -4.8599999E-02  -2.302300       2.258100    
 P   0.9327000     -0.9925000      -1.136400    
 P  -0.9326000     -0.9928000       1.136100    
 O    1.566600      0.2856000      -1.908800    
 O    2.194900      -1.546600     -0.2796000    
 O   -1.566700      0.2853000       1.908800    
 O   -2.194900      -1.546600      0.2794000    
 O    0.000000     -0.3049000     -9.9999997E-05
 C    3.565700      0.4750000     -0.4982000    
 C   -3.565600      0.4749000      0.4984000    
 C    4.382900       1.507500      0.3090000    
 C   -4.383000       1.507500     -0.3087000    
 C    4.470000     -0.1442000      -1.593100    
 C   -4.470000     -0.1446000       1.593100    
 C    5.690500      0.9410000      0.8738000    
 C   -5.690500      0.9412000     -0.8736000    
 C    5.768200     -0.7288000      -1.038700    
 C   -5.768100     -0.7291000       1.038600    
 C    2.376500       1.197000      -1.174400    
 C    2.996100     -0.6149000      0.4398000    
 C   -2.376600       1.196800       1.174600    
 C   -2.996100     -0.6149000     -0.4399000    
 C    6.549000      0.2910000     -0.2091000    
 C   -6.549000      0.2910000      0.2091000    
 H    3.770000       1.910900       1.126500    
 H    4.611400       2.362400     -0.3437000    
 H   -3.770100       1.911000      -1.126000    
 H   -4.611500       2.362300      0.3442000    
 H    4.729000      0.6290000      -2.329100    
 H    3.938100     -0.9264000      -2.147700    
 H   -4.729000      0.6284000       2.329200    
 H   -3.938100     -0.9268000       2.147500    
 H    5.486700      0.2530000       1.701200    
 H   -5.486700      0.2533000      -1.701100    
 H    5.539400      -1.621000     -0.4427000    
 H    6.386500      -1.078600      -1.875300    
 H   -5.539400      -1.621100      0.4425000    
 H   -6.386500      -1.078900       1.875200    
 H    1.747100       1.703400     -0.4336000    
 H    2.730200       1.961100      -1.875100    
 H    3.785300      -1.183700      0.9385000    
 H    2.384800     -0.1636000       1.229200    
 H   -1.747200       1.703400      0.4339000    
 H   -2.730300       1.960700       1.875700    
 H   -3.785400      -1.183600     -0.9387000    
 H   -2.384700     -0.1634000      -1.229300    
 H    6.998400       1.042000     -0.8691000    
 H   -6.998400       1.041800      0.8694000    


%chk=000100896-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000100896

0 1
Br 7.139426 1.129906 2.334968
Br -7.139545 1.130242 -2.334669
Br 8.155613 -1.594168 0.155338
Br -8.155580 -1.594252 -0.155480
S -0.309410 -0.767532 -2.943928
S 0.309376 -0.767974 2.943805
P 0.827029 -0.072054 -1.407207
P -0.827050 -0.072256 1.407182
O 1.795913 1.312104 -1.777485
O 1.968490 -1.194125 -0.750226
O -1.795917 1.311854 1.777663
O -1.968516 -1.194227 0.750026
O -0.000010 0.580174 0.000034
C 3.783519 0.545505 -0.397649
C -3.783543 0.545460 0.397747
C 4.757635 1.111402 0.683089
C -4.757696 1.111509 -0.682877
C 4.591708 0.127144 -1.656156
C -4.591694 0.126891 1.656208
C 5.932840 0.160327 1.005320
C -5.932892 0.160462 -1.005226
C 5.755273 -0.838028 -1.319580
C -5.755232 -0.838268 1.319510
C 2.797458 1.696786 -0.731668
C 2.986409 -0.640942 0.208087
C -2.797487 1.696697 0.731929
C -2.986433 -0.640882 -0.208193
C 6.700094 -0.229469 -0.261724
C -6.700098 -0.229571 0.261773
H 4.216182 1.336945 1.620657
H 5.175764 2.069132 0.315298
H -4.216271 1.337209 -1.620424
H -5.175832 2.069174 -0.314925
H 4.996424 1.042179 -2.134157
H 3.927597 -0.351593 -2.397361
H -4.996428 1.041843 2.134352
H -3.927553 -0.351933 2.397331
H 5.611757 -0.732819 1.565528
H -5.611808 -0.732580 -1.565599
H 5.368688 -1.807665 -0.955379
H 6.336297 -1.057745 -2.232100
H -5.368620 -1.807834 0.955145
H -6.336227 -1.058151 2.232008
H 2.251173 2.032823 0.170807
H 3.318083 2.552757 -1.192125
H 3.613655 -1.521929 0.412792
H 2.467172 -0.343844 1.140529
H -2.251224 2.032888 -0.170502
H -3.318110 2.552589 1.192538
H -3.613680 -1.521834 -0.413050
H -2.467193 -0.343623 -1.140583
H 7.257610 0.633441 -0.663423
H -7.257634 0.633252 0.663630


