%chk=000011974.chk
%nprocshared=8
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000011974

0 1
 Br -0.7721000     -0.3239000      -2.943900    
 Br  0.7110000     -0.2457000       2.912500    
 O   -1.546700      -2.481700     -0.8267000    
 O    1.464200      -2.465500      0.8525000    
 N   -4.793900       2.628700       1.354900    
 N    4.900900       2.506400      -1.358700    
 N   -3.746500       3.495600     -0.5458000    
 N    3.841900       3.439700      0.5037000    
 C  -4.3099999E-02  -4.144200      1.0400000E-02
 C   -1.269100      -3.295600      0.3045000    
 C    1.185500      -3.292800     -0.2690000    
 C   -2.124900      -1.262700     -0.5849000    
 C    2.082200      -1.268600      0.5996000    
 C   -1.894900     -0.1773000      -1.423800    
 C    1.867400     -0.1608000       1.413000    
 C   -2.952500      -1.134600      0.5262000    
 C    2.934900      -1.185800     -0.4968000    
 C   -3.329400       1.184500     -3.6400001E-02
 C    3.367900       1.132000      2.9600000E-02
 C   -2.498700       1.049600      -1.148900    
 C    2.512000       1.042600       1.127400    
 C   -3.556200      9.2200004E-02  0.8011000    
 C    3.579400      1.7800000E-02 -0.7824000    
 C   -3.959300       2.463500      0.2511000    
 C    4.040300       2.386600     -0.2691000    
 H  -0.2329000      -4.783300     -0.8597000    
 H   0.1472000      -4.793300      0.8729000    
 H   -2.126900      -3.953000      0.4878000    
 H   -1.072100      -2.709000       1.210300    
 H   0.9981000      -2.710600      -1.180000    
 H    2.042600      -3.953700     -0.4437000    
 H   -3.187200      -1.964500       1.185700    
 H    3.157200      -2.034000      -1.137000    
 H   -2.311700       1.891700      -1.810900    
 H    2.336400       1.902500       1.769500    
 H   -4.198600      0.1405000       1.673500    
 H    4.239700      3.0700000E-02  -1.642500    
 H   -5.009700       1.892400       2.015300    
 H   -5.225800       3.528600       1.537600    
 H    5.108200       1.751600      -2.000600    
 H    5.362300       3.389900      -1.549700    
 H   -4.272600       4.297600     -0.1815000    
 H    4.398200       4.219100      0.1351000    


%chk=000011974-Freq.chk
%nprocshared=24
%mem=100GB
#p freq=noraman PBEPBE/SDD

000011974

0 1
Br -2.261750 -0.625520 -3.360412
Br 2.261068 -0.641583 3.371046
O -1.682988 -1.949445 -0.667842
O 1.650763 -1.977439 0.691194
N -6.145539 2.511438 0.987491
N 6.205854 2.371465 -1.009771
N -6.426844 2.323381 -1.411240
N 6.485209 2.200146 1.390453
C -0.032927 -3.558640 0.020041
C -1.195025 -2.694748 0.513665
C 1.146169 -2.723500 -0.482864
C -2.698879 -1.016685 -0.489453
C 2.685693 -1.067788 0.503181
C -3.123486 -0.286287 -1.635546
C 3.127194 -0.336153 1.642075
C -3.340442 -0.756420 0.747740
C 3.330916 -0.832376 -0.737073
C -4.770938 0.942145 -0.308337
C 4.798727 0.844788 0.301908
C -4.139656 0.671234 -1.551876
C 4.163374 0.598760 1.548542
C -4.362460 0.211729 0.833272
C 4.373189 0.112958 -0.832561
C -5.846699 1.985394 -0.275639
C 5.896728 1.864176 0.258547
H -0.382360 -4.209496 -0.802805
H 0.303605 -4.207312 0.849959
H -2.014169 -3.322091 0.917251
H -0.850222 -1.983922 1.288737
H 0.814934 -2.012932 -1.264087
H 1.951738 -3.371241 -0.881485
H -3.049034 -1.311907 1.643297
H 3.026470 -1.389533 -1.627228
H -4.482470 1.226932 -2.429074
H 4.519142 1.154872 2.420302
H -4.862932 0.353179 1.797734
H 4.875147 0.234933 -1.798918
H -5.536626 2.354494 1.787250
H -6.896765 3.190285 1.090387
H 5.592900 2.220188 -1.807529
H 6.971445 3.032952 -1.119623
H -7.137596 3.076415 -1.309187
H 7.212245 2.936357 1.280678


