%chk=000133002.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000133002

0 1
 Br   6.947600      -1.622100     -0.1935000    
 O  -0.7879000       1.081900      0.4457000    
 O   0.4673000     -0.8374000      0.2326000    
 N   -4.472700      6.7900002E-02 -0.8722000    
 C   -3.597500      -1.117400     -0.8000000    
 C   -4.516400      0.5252000      0.5297000    
 C   -4.052500      -1.853400      0.4650000    
 C   -4.662900     -0.7624000       1.348300    
 C   -2.157100     -0.5846000     -0.6683000    
 C   -3.170500       1.227100      0.7983000    
 C   -1.968500      0.2989000      0.5739000    
 C   -5.796300     -0.2379000      -1.409000    
 C   0.3799000      0.3829000      0.2778000    
 C    1.553200       1.350200      0.1860000    
 C    2.881900      0.6178000      9.3699999E-02
 C    1.353400       2.336100     -0.9685000    
 C    3.555200      0.3031000       1.257100    
 C    3.377300      0.2886000      -1.152300    
 C    4.774600     -0.3689000       1.171000    
 C    4.596600     -0.3834000      -1.238400    
 C    5.295300     -0.7121000     -7.6800004E-02
 H   -3.664600      -1.750100      -1.692300    
 H   -5.331500       1.231700      0.7222000    
 H   -3.233300      -2.375800      0.9697000    
 H   -4.819300      -2.599100      0.2238000    
 H   -5.720800     -0.9879000       1.527900    
 H   -4.169300     -0.7033000       2.323800    
 H   -1.497400      -1.456900     -0.6471000    
 H   -1.887100     -2.1600001E-02  -1.572400    
 H   -3.079800       2.111000      0.1521000    
 H   -3.141600       1.611000       1.825800    
 H   -1.857100     -0.3359000       1.462900    
 H   -5.709800     -0.5832000      -2.445200    
 H   -6.410500      0.6691000      -1.431100    
 H   -6.340400      -1.000700     -0.8428000    
 H    1.559400       1.930900       1.119000    
 H   0.5209000       3.014800     -0.7482000    
 H    2.241200       2.956900      -1.132200    
 H    1.095700       1.832000      -1.906700    
 H    3.156200      0.5639000       2.232700    
 H    2.850900      0.5098000      -2.074100    
 H    5.306100     -0.6182000       2.085800    
 H    4.986600     -0.6478000      -2.218000    


%chk=000133002-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000133002

0 1
Br 6.072120 -0.935280 2.870486
O -0.597199 0.868542 -0.283602
O 0.361003 -0.694232 -1.731508
N -4.699466 0.479343 0.246994
C -4.221673 -0.193974 -1.005254
C -3.889891 -0.232489 1.289635
C -4.187843 -1.729622 -0.656686
C -3.957447 -1.755360 0.893290
C -2.808947 0.363858 -1.321075
C -2.444560 0.324861 1.214939
C -1.840792 0.027628 -0.167884
C -6.163163 0.384515 0.457280
C 0.428388 0.380034 -1.086285
C 1.641869 1.315866 -1.045441
C 2.697302 0.752270 -0.083986
C 2.211740 1.508521 -2.475238
C 3.167054 1.535083 0.998141
C 3.238539 -0.545558 -0.271849
C 4.163636 1.048093 1.875443
C 4.232017 -1.050091 0.595621
C 4.684974 -0.242568 1.659383
H -4.904378 0.035120 -1.841715
H -4.308770 -0.037085 2.291845
H -3.393212 -2.258436 -1.212295
H -5.147089 -2.208075 -0.922470
H -4.795143 -2.254942 1.411108
H -3.033837 -2.292437 1.174048
H -2.424338 -0.054588 -2.269001
H -2.885689 1.461556 -1.421574
H -2.483118 1.417650 1.369176
H -1.811972 -0.116484 2.007311
H -1.517452 -1.026805 -0.247384
H -6.680078 0.914747 -0.362257
H -6.425146 0.890677 1.403437
H -6.565226 -0.656271 0.501430
H 1.292096 2.285434 -0.651215
H 1.461549 1.975025 -3.138765
H 3.104067 2.157208 -2.442474
H 2.497582 0.537490 -2.913685
H 2.754218 2.536775 1.165316
H 2.870200 -1.174259 -1.090262
H 4.520873 1.662069 2.707072
H 4.641705 -2.053110 0.445654


