%chk=000033985.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000033985

0 1
 Br   6.478700       1.967700       2.153200    
 Br   5.230700       3.863100     -0.1549000    
 O   -1.555400      -3.217500      0.2424000    
 O   -1.113300      -1.279500      -2.177100    
 O    6.010600      0.8751000     -0.8370000    
 O   -6.054300       2.455100       1.454700    
 O   -5.442700       3.715500     -0.2354000    
 N   0.5597000      -2.378100     -0.3735000    
 N   -5.328600       2.673500      0.4545000    
 C  -0.7747000      -2.032800      8.8500001E-02
 C   -1.421400      -1.163300     -0.9915000    
 C    1.656300      -1.531900     -0.3032000    
 C   -2.451900     -0.1492000     -0.6091000    
 C    1.502800     -0.1805000      5.6499999E-02
 C    2.950000      -2.003300     -0.5913000    
 C    3.880700      0.1849000     -0.1636000    
 C   -1.034600      -4.098300       1.230000    
 C   -3.240300     -0.3977000      0.4891000    
 C   -2.568700      0.9882000      -1.372300    
 C    2.605600      0.6707000      0.1257000    
 C    4.053000      -1.152100     -0.5221000    
 C   -4.202700      0.5472000      0.8453000    
 C   -3.530900       1.933200      -1.016000    
 C   -4.347900       1.712600      9.2699997E-02
 C   -1.924900      -5.319300       1.320600    
 C    5.030500       1.072800     -9.2600003E-02
 C    5.033700       2.243700      0.8862000    
 H  -0.7366000      -1.502900       1.047400    
 H   0.6986000      -3.294100     -0.7853000    
 H   0.5320000      0.2474000      0.2869000    
 H    3.101800      -3.043400     -0.8711000    
 H  -2.0800000E-02  -4.423300      0.9752000    
 H   -1.009100      -3.587800       2.199100    
 H   -3.157600      -1.300300       1.084400    
 H   -1.935100       1.174100      -2.234000    
 H    2.426400       1.711700      0.3762000    
 H    5.039000      -1.550700     -0.7465000    
 H   -4.823500      0.3407000       1.713500    
 H   -3.615000       2.829900      -1.624800    
 H   -1.969100      -5.836500      0.3564000    
 H   -2.950400      -5.030500       1.574200    
 H   -1.557200      -6.016500       2.078700    
 H    4.129000       2.336400       1.485200    


%chk=000033985-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000033985

0 1
Br 8.115032 0.060717 2.323113
Br 5.935696 2.523821 1.844917
O -1.304352 -2.206571 0.373783
O -1.583382 -0.975995 -2.638751
O 6.828046 -0.130021 -0.503691
O -7.148475 1.653256 1.418262
O -7.679236 1.942653 -0.781920
N 0.511409 -1.333699 -1.052398
N -6.887452 1.554676 0.158976
C -0.720150 -1.058761 -0.363163
C -1.822292 -0.745243 -1.420771
C 1.801441 -0.989651 -0.647763
C -3.127061 -0.173988 -0.970575
C 2.097653 -0.438513 0.635378
C 2.881082 -1.196402 -1.563514
C 4.494211 -0.310669 0.071450
C -0.439693 -2.741884 1.454629
C -3.471495 -0.051938 0.403205
C -4.038059 0.271508 -1.968765
C 3.416965 -0.102935 0.978180
C 4.190205 -0.863666 -1.209347
C -4.703777 0.514126 0.778454
C -5.272052 0.838141 -1.608789
C -5.582268 0.952576 -0.235289
C -1.169262 -3.941280 2.054889
C 5.917776 0.008877 0.359470
C 6.254336 0.515389 1.784228
H -0.584153 -0.206484 0.336746
H 0.380186 -1.668252 -2.014622
H 1.302380 -0.268645 1.366478
H 2.670882 -1.615081 -2.554937
H 0.539488 -3.036647 1.030027
H -0.271250 -1.948341 2.215970
H -2.795152 -0.439693 1.169016
H -3.754077 0.163605 -3.020036
H 3.589807 0.345962 1.961973
H 5.016376 -1.016755 -1.911078
H -4.999452 0.615051 1.825666
H -5.989072 1.190071 -2.354650
H -1.338622 -4.713922 1.285915
H -2.148242 -3.642690 2.467669
H -0.566348 -4.383120 2.868804
H 5.604804 0.104417 2.568162


