%chk=000039625.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000039625

0 1
 Br  -6.352400     -0.1977000      0.8628000    
 O    1.812200      -4.269700      0.1227000    
 O  -0.4617000      -3.813600     -0.5202000    
 O  -0.5962000       2.872800      -1.045300    
 N   0.5079000       1.061500     -0.2654000    
 C    2.677300      0.6580000      0.2098000    
 C    1.746100       1.645300     -3.7300002E-02
 C    4.106400      0.9461000      0.5300000    
 C    2.046400       3.113600     -2.4599999E-02
 C    4.484000       2.388300      0.1592000    
 C    3.414500       3.386300      0.6246000    
 C    2.019600     -0.5926000      0.1152000    
 C   0.6747000     -0.3310000     -0.2168000    
 C    2.470100      -1.926200      0.2630000    
 C  -0.2255000      -1.387500     -0.4775000    
 C  -0.6905000       1.765500     -0.5236000    
 C    1.554500      -2.935300      3.7700001E-02
 C   0.2609000      -2.674200     -0.3256000    
 C   -2.046500       1.296600     -0.1907000    
 C   0.5273000      -4.820500     -0.2275000    
 C   -2.244400      0.4647000      0.9101000    
 C   -3.129600       1.684500     -0.9781000    
 C   -3.528300      1.9300001E-02   1.224300    
 C   -4.413600       1.239100     -0.6640000    
 C   -4.613100      0.4066000      0.4373000    
 H    4.262200      0.7943000       1.605200    
 H    4.766900      0.2496000      1.5000000E-03
 H    2.058700       3.481600      -1.057600    
 H    1.279200       3.669100      0.5255000    
 H    5.452200       2.639500      0.6067000    
 H    4.601800       2.470300     -0.9290000    
 H    3.730000       4.409800      0.3926000    
 H    3.319100       3.322200       1.716300    
 H    3.499000      -2.148500      0.5262000    
 H   -1.238200      -1.226300     -0.8224000    
 H   0.6478000      -5.461000      -1.108700    
 H   0.1684000      -5.433800      0.6070000    
 H   -1.428900      0.1845000       1.570900    
 H   -2.994300       2.327500      -1.843900    
 H   -3.668100     -0.6208000       2.091600    
 H   -5.247800       1.548800      -1.288300    


%chk=000039625-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000039625

0 1
Br -6.427255 0.027352 1.091163
O 1.849874 -4.370883 0.035225
O -0.435128 -3.934473 -0.570209
O -0.562205 2.868090 -1.309939
N 0.480495 1.041595 -0.293261
C 2.690742 0.665450 0.216645
C 1.757323 1.654169 -0.050541
C 4.131829 0.959680 0.555440
C 2.017084 3.136770 -0.004061
C 4.477342 2.435980 0.226855
C 3.366528 3.396899 0.718434
C 2.028096 -0.623721 0.110648
C 0.649341 -0.380447 -0.214020
C 2.529887 -1.952333 0.227834
C -0.265159 -1.429717 -0.491465
C -0.674468 1.772807 -0.684950
C 1.611059 -2.971780 -0.010304
C 0.262955 -2.715745 -0.365399
C -2.020055 1.259417 -0.269150
C 0.556348 -5.012307 -0.314285
C -2.227474 0.595114 0.967746
C -3.136322 1.574921 -1.085397
C -3.528530 0.236033 1.378328
C -4.439824 1.205524 -0.697027
C -4.618812 0.537951 0.534452
H 4.316672 0.761747 1.632178
H 4.805616 0.278560 -0.001851
H 2.038623 3.551683 -1.029935
H 1.195234 3.670380 0.509502
H 5.446232 2.704656 0.688172
H 4.594990 2.551120 -0.869072
H 3.669820 4.447385 0.551247
H 3.232620 3.266278 1.811029
H 3.573196 -2.160958 0.475643
H -1.303832 -1.273617 -0.782106
H 0.686265 -5.606121 -1.235770
H 0.212872 -5.619084 0.541842
H -1.377050 0.366670 1.617497
H -2.970333 2.121878 -2.018927
H -3.688720 -0.267781 2.335375
H -5.297774 1.437557 -1.333885


