%chk=000057491.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000057491

0 1
 Br  -4.284700      -1.975900       1.055600    
 O  -0.5398000       2.502600       1.540000    
 O    1.567000       2.763200     -0.5521000    
 N  -9.7599998E-02   1.453700      -1.568400    
 N    2.837100     -2.0300001E-02  0.1721000    
 C  -3.5999999E-03   1.424900      0.7983000    
 C   -1.116300      0.5644000      0.2664000    
 C    1.017800      0.6532000       1.620700    
 C   -1.120100      0.6215000      -1.126100    
 C   0.6261000       1.986200     -0.4949000    
 C   -2.050700     -0.2028000      0.9380000    
 C    1.711700     -0.4039000      0.8027000    
 C   -2.033400     -6.8899997E-02  -1.897200    
 C   -2.987400     -0.9126000      0.1800000    
 C   -2.978600     -0.8461000      -1.225400    
 C    1.166300      -1.669300      0.7501000    
 C    1.831400      -2.621800     -1.3900000E-02
 C    3.455900     -0.9729000     -0.5609000    
 C    2.998900      -2.275100     -0.6850000    
 H   0.5537000      0.2073000       2.510600    
 H    1.775800       1.343100       2.016500    
 H   8.6000003E-02   1.646600      -2.545900    
 H   -2.050000     -0.2457000       2.022400    
 H   -2.024600     -1.5200000E-02  -2.979700    
 H   0.1999000       3.046400       1.860600    
 H   -3.710500      -1.400900      -1.808000    
 H   0.2676000      -1.941100       1.290900    
 H    1.443200      -3.633600     -8.2699999E-02
 H    4.361700     -0.6518000      -1.064700    
 H    3.534400      -3.001300      -1.285500    


%chk=000057491-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000057491

0 1
Br -4.302834 -2.209798 0.305349
O -0.699746 2.345024 1.735572
O 1.537029 3.014054 -0.186628
N -0.128254 1.927118 -1.490416
N 1.760296 -0.486839 -0.444745
C -0.058048 1.364254 0.824715
C -1.146000 0.593093 0.102915
C 0.961444 0.542419 1.643416
C -1.144214 0.967753 -1.267747
C 0.601686 2.185774 -0.331863
C -2.070347 -0.339623 0.586543
C 1.620727 -0.611441 0.911588
C -2.056456 0.417629 -2.182723
C -2.989629 -0.894103 -0.336880
C -2.993653 -0.531331 -1.699207
C 2.104689 -1.743845 1.614137
C 2.758705 -2.770954 0.900477
C 2.391179 -1.486684 -1.124372
C 2.909523 -2.642695 -0.499705
H 0.447417 0.179964 2.552594
H 1.748925 1.251139 1.977259
H 0.097229 2.346498 -2.391715
H -2.090881 -0.624933 1.641783
H -2.061842 0.700362 -3.240151
H -0.036603 3.070863 1.897123
H -3.718818 -0.979278 -2.384568
H 1.968162 -1.813737 2.698620
H 3.139694 -3.654341 1.423802
H 2.478802 -1.347473 -2.208051
H 3.409019 -3.414968 -1.092623