%chk=000176833.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000176833

0 1
 Br   4.843500      -1.772400      0.8181000    
 O    1.253700     -0.5851000     -0.1567000    
 O   -1.133800       1.650300      -1.506700    
 O   -1.694700      -2.506800      0.4109000    
 O    2.949100      -1.339100      -1.522200    
 N   -1.020400     -0.5469000     -0.6916000    
 C   -2.903500      0.6417000     -0.2695000    
 C   -3.066900     -0.5642000      0.2807000    
 C   -3.912400       1.729800     -0.2414000    
 C   -4.269600     -0.9941000       1.036600    
 C   -5.282400       1.200300      0.2154000    
 C   -5.163500      0.2088000       1.382400    
 C    4.003200       1.038200      0.5409000    
 C   -1.584000      0.6856000     -0.9129000    
 C   -1.858200      -1.360600      2.9200001E-02
 C    3.445700     -0.4024000      0.6773000    
 C   0.2971000     -0.9255000      -1.162400    
 C    4.961500       1.362400       1.707800    
 C    2.833000       2.045300      0.6234000    
 C    4.744400       1.282500     -0.7879000    
 C    2.558100     -0.8479000     -0.4714000    
 H   -4.014500       2.188200      -1.231100    
 H   -3.573500       2.511400      0.4488000    
 H   -3.982400      -1.507600       1.960700    
 H   -4.836300      -1.707900      0.4272000    
 H   -5.922100       2.042000      0.5041000    
 H   -5.777500      0.7004000     -0.6273000    
 H   -6.158500     -0.1466000       1.673300    
 H   -4.746800      0.7321000       2.252800    
 H    2.895500     -0.5209000       1.618800    
 H   0.5199000     -0.3773000      -2.084100    
 H   0.3177000      -2.007000      -1.334100    
 H    5.898100      0.7996000       1.645700    
 H    4.494700       1.144500       2.675100    
 H    5.235400       2.424200       1.708000    
 H    2.148400       1.940400     -0.2250000    
 H    2.254900       1.905000       1.543700    
 H    3.197400       3.079200      0.6155000    
 H    4.084200       1.146600      -1.650800    
 H    5.131300       2.307300     -0.8368000    
 H    5.598800      0.6088000     -0.9072000    


%chk=000176833-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000176833

0 1
Br 4.934660 -1.663250 0.537110
O 1.296440 -1.226994 -0.153531
O -0.627481 1.284112 -1.372546
O -2.026154 -2.919244 0.205839
O 2.748697 -0.592198 -1.876622
N -1.005754 -0.980890 -0.736087
C -2.692121 0.550414 -0.188885
C -3.100185 -0.673009 0.270899
C -3.483617 1.819981 -0.067502
C -4.395110 -0.931920 0.985190
C -4.949344 1.493901 0.329723
C -5.023094 0.413038 1.441396
C 3.870194 1.174609 0.502472
C -1.345418 0.404924 -0.838053
C -2.043399 -1.691577 -0.045984
C 3.392256 -0.308050 0.515611
C 0.237643 -1.557235 -1.164974
C 4.613760 1.475493 1.830624
C 2.574843 2.046487 0.439675
C 4.783545 1.510203 -0.702882
C 2.503902 -0.707955 -0.659083
H -3.441371 2.389294 -1.015401
H -3.011275 2.475289 0.693085
H -4.229728 -1.610217 1.843568
H -5.087286 -1.473072 0.307686
H -5.456721 2.416477 0.665753
H -5.495714 1.131579 -0.563524
H -6.074801 0.249319 1.739044
H -4.486107 0.778859 2.338802
H 2.862508 -0.534278 1.453984
H 0.559795 -1.154193 -2.139442
H 0.135764 -2.653568 -1.176171
H 5.528328 0.864653 1.925741
H 3.970171 1.276568 2.708733
H 4.907510 2.540581 1.857297
H 2.019663 1.906455 -0.504902
H 1.891890 1.820152 1.280327
H 2.858017 3.112244 0.510054
H 4.290238 1.282380 -1.661929
H 5.033999 2.586850 -0.680360
H 5.725458 0.936088 -0.657434


