%chk=000176579.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000176579

0 1
 Br   4.133100       4.233200      5.3900000E-02
 O   -1.858500       2.887700     -0.3973000    
 O   -4.190500      -2.347700     -8.6400002E-02
 O   -3.653100       2.111400      0.7615000    
 O   -4.881100     -0.1926000      0.1262000    
 N  -0.4749000      -1.007200     -0.1567000    
 N   -1.647100      -1.664600     -0.1533000    
 C  -0.5981000      0.3486000     -3.9500002E-02
 C   -1.950300      0.5906000      4.6300001E-02
 C   0.7153000      -1.727600     -0.2722000    
 C   0.5163000       1.264500     -1.7700000E-02
 C   -2.544700     -0.6833000     -2.9200001E-02
 C    1.356200      -2.179500      0.8735000    
 C    1.241400      -1.981800      -1.531700    
 C    2.545400      -2.899300      0.7575000    
 C    1.113300       1.607300       1.195300    
 C   0.9977000       1.806100      -1.209700    
 C    2.430700      -2.701600      -1.647700    
 C   -2.573400       1.874700      0.1836000    
 C    3.082500      -3.160300     -0.5032000    
 C    2.191500       2.492000       1.216600    
 C    2.075900       2.690800      -1.188500    
 C   -3.943700      -1.005400      1.3200000E-02
 C    3.243200      -3.389600       1.980900    
 C    2.673000       3.033600      2.4599999E-02
 H   0.9368000      -1.977600       1.856600    
 H   0.7429000      -1.629800      -2.431100    
 H   0.7500000       1.193500       2.133000    
 H   0.5437000       1.548500      -2.163700    
 H    2.848700      -2.904900      -2.629200    
 H    4.007500      -3.721300     -0.6070000    
 H    2.645300       2.748700       2.170300    
 H    2.438900       3.103800      -2.126100    
 H    4.322400      -3.475900       1.814600    
 H    3.102900      -2.697300       2.818000    
 H    2.853800      -4.371500       2.267300    
 H   -2.304100       3.754800     -0.2884000    
 H   -5.151500      -2.542900     -5.5599999E-02


%chk=000176579-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000176579

0 1
Br 4.019660 4.776310 -0.633568
O -2.385211 2.737430 -1.107912
O -4.025859 -2.228640 1.107806
O -3.625443 2.127711 0.757455
O -4.790993 -0.532937 -0.289227
N -0.260066 -0.883299 0.048129
N -1.419298 -1.614921 0.288883
C -0.516666 0.477973 -0.179119
C -1.921015 0.615420 -0.086369
C 0.989380 -1.605535 0.011340
C 0.552327 1.496302 -0.296760
C -2.423277 -0.696231 0.214376
C 1.163187 -2.680878 0.911395
C 1.990638 -1.272609 -0.929413
C 2.357865 -3.439710 0.897458
C 1.568110 1.579993 0.694393
C 0.578101 2.407593 -1.383670
C 3.187346 -2.019237 -0.934493
C -2.728816 1.853902 -0.069731
C 3.373534 -3.087845 -0.029433
C 2.590473 2.546627 0.603604
C 1.599958 3.375724 -1.489789
C -3.845192 -1.104844 0.298891
C 2.531390 -4.619749 1.836980
C 2.596278 3.433366 -0.493976
H 0.352760 -2.926969 1.604354
H 1.838439 -0.461881 -1.646437
H 1.556975 0.894456 1.548142
H -0.206307 2.363075 -2.142841
H 3.973141 -1.769266 -1.655135
H 4.308585 -3.659809 -0.046918
H 3.363553 2.607368 1.374360
H 1.615232 4.070842 -2.333733
H 3.597272 -4.824207 2.038160
H 2.025392 -4.448421 2.803048
H 2.095429 -5.538101 1.398414
H -2.948765 3.554723 -1.022127
H -4.990716 -2.475630 1.092164


