%chk=000153065.chk
%nprocshared=8
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000153065

0 1
 Br  -4.325200      -3.716000      0.9920000    
 O  -0.8063000       1.495900     -0.9098000    
 O   -5.207900      -1.011900      0.7791000    
 O    1.673400     -7.7200003E-02   1.064400    
 O    6.010900      -1.868000      8.4200002E-02
 O    4.062200      -1.682600     -0.9095000    
 N   0.5969000     -0.6888000     -0.9345000    
 N    5.016100      -1.188600     -0.2629000    
 C   -1.767700     -0.5778000     -0.2783000    
 C   -2.915200      -1.240100      0.1629000    
 C  -0.5853000      -1.296300     -0.4919000    
 C   -3.044500       1.625000     -0.2922000    
 C  -0.5549000      -2.672400     -0.2639000    
 C   -1.790400      0.8790000     -0.5220000    
 C   -4.192100      0.9626000      0.1487000    
 C   -4.169400     -0.4941000      0.3924000    
 C   -2.880400      -2.621000      0.3905000    
 C   -1.700000      -3.333300      0.1764000    
 C   -3.079200       3.006200     -0.5188000    
 C   -5.374500       1.681300      0.3625000    
 C   0.6903000      -3.472100     -0.4802000    
 C    2.729400      0.4232000      -1.044000    
 C    1.624500     -0.1335000     -0.1601000    
 C    3.889900      0.9886000     -0.2678000    
 C   -4.259100       3.718600     -0.3035000    
 C   -5.404400       3.057600      0.1357000    
 C    4.967900      0.1885000      8.8900000E-02
 C    3.853900       2.332500      8.3499998E-02
 C    6.027400      0.7410000      0.8087000    
 C    4.913400       2.884600      0.8034000    
 C    6.000100       2.089100       1.166000    
 H   -1.661800      -4.406700      0.3518000    
 H   0.6475000     -0.5555000      -1.942100    
 H   -2.201300       3.547200     -0.8616000    
 H   -6.283300       1.193800      0.7050000    
 H    1.076600      -3.322400      -1.494000    
 H    1.457800      -3.187300      0.2468000    
 H   0.5113000      -4.546700     -0.3638000    
 H    2.251700       1.281000      -1.547800    
 H    2.976600     -0.1938000      -1.910800    
 H   -4.285100       4.790200     -0.4791000    
 H   -6.321900       3.614700      0.3020000    
 H    3.013300       2.965300     -0.1871000    
 H    6.891700      0.1548000       1.110300    
 H    4.891800       3.934000       1.082700    
 H    6.824500       2.519600       1.726900    


%chk=000153065-Freq.chk
%nprocshared=8
%mem=21GB
#p freq=noraman PBEPBE/SDD

000153065

0 1
Br -4.047300 -3.825729 1.278490
O -1.185049 1.718907 -1.182954
O -5.397530 -1.304735 0.663546
O 2.134504 -0.597640 1.164486
O 5.306356 -2.301171 -0.744146
O 3.523822 -1.222933 -1.648101
N 0.531068 -0.045362 -0.477289
N 4.579827 -1.246823 -0.897900
C -1.882567 -0.382479 -0.168747
C -3.001085 -1.201054 0.251633
C -0.535375 -0.900532 -0.129180
C -3.492896 1.569039 -0.610288
C -0.303414 -2.282865 0.177947
C -2.126427 0.999253 -0.668569
C -4.582731 0.786729 -0.149511
C -4.391013 -0.632249 0.279651
C -2.720438 -2.534484 0.647671
C -1.410397 -3.055235 0.575037
C -3.708782 2.906883 -1.030424
C -5.882808 1.347734 -0.107707
C 1.033252 -2.962748 0.001621
C 2.664681 1.137726 -0.517548
C 1.781608 0.055313 0.145557
C 4.106605 1.106039 -0.052409
C -5.002093 3.460383 -0.982115
C -6.092139 2.678651 -0.518516
C 4.990745 -0.002167 -0.201011
C 4.630423 2.239512 0.617517
C 6.317609 0.016970 0.289128
C 5.955668 2.283465 1.100710
C 6.805417 1.165530 0.937177
H -1.248845 -4.110171 0.816158
H 0.204289 0.782407 -1.027820
H -2.851271 3.483789 -1.388271
H -6.704985 0.719206 0.247415
H 1.579820 -2.568181 -0.873357
H 1.685563 -2.785066 0.874911
H 0.895984 -4.049369 -0.127940
H 2.230931 2.126069 -0.269809
H 2.597353 1.008190 -1.611360
H -5.168043 4.494108 -1.303022
H -7.097822 3.110641 -0.482596
H 3.974529 3.104057 0.768123
H 6.939417 -0.871335 0.152284
H 6.319383 3.182787 1.608633
H 7.833355 1.187140 1.311993


