%chk=000063313.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000063313

0 1
 Br   4.885700       2.985500      -1.368500    
 Br   6.755300      -2.328300     -0.7956000    
 O   -2.537200      1.2500000E-02  0.8846000    
 O    1.759100      -1.993600       1.321400    
 N   0.9939000      0.2062000       1.084400    
 N    2.380600       1.833300      4.3200001E-02
 N   -1.193100      -1.379800     -0.2376000    
 N   -2.441200      -1.420200     -0.8308000    
 C  -0.2824000     -9.9200003E-02   1.729000    
 C    3.193900     -0.4641000      0.2879000    
 C    1.272600       1.491200      0.6230000    
 C    1.923500     -0.8360000      0.9465000    
 C    3.367800      0.8557000     -0.1362000    
 C   -1.321600     -0.5422000      0.7336000    
 C    4.200300      -1.417100      9.4099998E-02
 C   0.2202000       2.558500      0.8087000    
 C    4.568500       1.212100     -0.7609000    
 C    5.391100      -1.047400     -0.5295000    
 C    5.575500      0.2657000     -0.9570000    
 C   -3.193000     -0.5927000     -0.1432000    
 C   -4.571900     -0.2341000     -0.3064000    
 C   -5.169400      0.6870000      0.5609000    
 C   -5.332200     -0.8021000      -1.334600    
 C   -6.510400       1.036000      0.4019000    
 C   -6.673300     -0.4530000      -1.493500    
 C   -7.262500      0.4661000     -0.6253000    
 H  -0.6432000      0.7572000       2.305200    
 H  -0.1377000     -0.9162000       2.445800    
 H    4.059700      -2.442800      0.4261000    
 H   0.1005000       2.781500       1.872500    
 H  -0.7367000       2.241900      0.3880000    
 H   0.5259000       3.479200      0.3015000    
 H    6.505900      0.5509000      -1.443600    
 H   -4.616500       1.152800       1.373100    
 H   -4.894800      -1.520700      -2.023800    
 H   -6.969500       1.751700       1.077800    
 H   -7.259100     -0.8967000      -2.293300    
 H   -8.306700      0.7379000     -0.7490000    


%chk=000063313-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000063313

0 1
Br 4.959152 0.707472 -2.478875
Br 4.507679 -4.178300 0.577228
O -2.172059 0.663248 0.917799
O 0.687481 -0.537317 2.423054
N 0.917688 1.398111 1.109295
N 2.602045 1.599532 -0.593043
N -2.183875 2.897921 0.481797
N -3.357839 2.318915 -0.117088
C -0.241067 1.978791 1.845478
C 2.404400 -0.502582 0.703818
C 1.599232 2.118444 0.101787
C 1.291507 0.064213 1.487134
C 3.013467 0.291991 -0.322645
C -1.520890 1.905230 1.074649
C 2.835455 -1.823502 0.983685
C 1.187280 3.543392 -0.173426
C 4.080026 -0.302651 -1.066657
C 3.883078 -2.357822 0.226490
C 4.514755 -1.610876 -0.802033
C -3.321152 1.005588 0.152526
C -4.261366 -0.041026 -0.228104
C -4.037157 -1.392852 0.149307
C -5.412784 0.305193 -0.988235
C -4.959317 -2.387722 -0.234295
C -6.327584 -0.696689 -1.365476
C -6.104424 -2.044250 -0.991196
H -0.043877 3.032844 2.088078
H -0.334175 1.393596 2.777308
H 2.336491 -2.383693 1.778924
H 1.426496 4.201777 0.684117
H 0.106709 3.646030 -0.376687
H 1.759108 3.891914 -1.044445
H 5.331218 -2.047267 -1.382397
H -3.149705 -1.652437 0.735167
H -5.570663 1.351010 -1.270334
H -4.785666 -3.429125 0.056060
H -7.213779 -0.429924 -1.950819
H -6.818285 -2.820478 -1.287544


