%chk=000133799.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000133799

0 1
 Br   7.599400     -0.3658000       1.949700    
 O   -6.096300      -1.296800      0.1989000    
 O    4.624900      0.1351000     -0.8232000    
 O    4.644600     -0.5193000       1.417700    
 C   -3.248300      0.6721000     -8.7899998E-02
 C   -3.753600     -0.6866000      0.4408000    
 C   -1.732700      0.7944000      6.0600001E-02
 C   -1.066400     -0.3114000     -0.8160000    
 C   -3.174200      -1.779500     -0.4507000    
 C   -4.167100       1.694100      0.5718000    
 C   -1.634500      -1.718500     -0.4820000    
 C   -1.201000       2.160600     -0.3747000    
 C   -5.244300     -0.4267000      0.3206000    
 C   -5.555500       1.058300      0.4048000    
 C   -3.478400     -0.9796000       1.927600    
 C   0.4553000     -0.2019000     -0.7812000    
 C   0.2927000       2.254100     -7.7100001E-02
 C    1.078100       1.027600     -0.4734000    
 C    1.271700      -1.289500      -1.139100    
 C    2.481000       1.123100     -0.4804000    
 C    2.663900      -1.178600      -1.150000    
 C    3.269100      2.6100000E-02 -0.8164000    
 C    5.242100     -0.1770000      0.4071000    
 C    6.729500     -1.4400000E-02  0.2525000    
 H   -3.467700      0.7348000      -1.168100    
 H   -1.453100      0.6508000       1.112300    
 H   -1.339900     -0.1124000      -1.864000    
 H   -3.558800      -1.674900      -1.473800    
 H   -3.496500      -2.770900     -0.1097000    
 H   -4.124900       2.674000      8.6499996E-02
 H   -3.922500       1.835400       1.630100    
 H   -1.232800      -2.057400      0.4808000    
 H   -1.298600      -2.448700      -1.227400    
 H   -1.716000       2.973100      0.1496000    
 H   -1.378500       2.309300      -1.447600    
 H   -6.023100       1.374800     -0.5320000    
 H   -6.202900       1.276000       1.256800    
 H   -2.411500      -1.034400       2.159500    
 H   -3.921100     -0.2289000       2.590800    
 H   -3.922200      -1.941600       2.211800    
 H   0.4324000       2.407700       1.000800    
 H   0.6970000       3.135500     -0.5895000    
 H   0.8420000      -2.245000      -1.424400    
 H    2.959400       2.065700     -0.2221000    
 H    3.267300      -2.039500      -1.425400    
 H    6.976900       1.011800     -2.6000001E-02
 H    7.121600     -0.7357000     -0.4669000    


%chk=000133799-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000133799

0 1
Br 7.667110 0.463968 -1.819929
O -6.288669 -1.110431 -0.451208
O 4.710122 -0.459199 -0.265604
O 5.296050 1.577311 0.775712
C -3.258019 0.751393 -0.071248
C -3.909858 -0.646900 0.155685
C -1.749421 0.744220 0.230531
C -1.072680 -0.293083 -0.724033
C -3.273705 -1.670490 -0.806207
C -4.215093 1.738808 0.648701
C -1.730065 -1.703288 -0.626973
C -1.070684 2.117722 0.047285
C -5.398943 -0.316433 -0.062910
C -5.620392 1.175076 0.285625
C -3.826794 -1.151900 1.632463
C 0.454623 -0.305260 -0.547057
C 0.397882 2.051778 0.512693
C 1.140581 0.815846 0.006922
C 1.229428 -1.415731 -0.978384
C 2.554203 0.807217 0.125279
C 2.630655 -1.434449 -0.868872
C 3.283714 -0.315409 -0.313034
C 5.601141 0.491065 0.238254
C 7.017915 -0.009661 0.043185
H -3.359089 0.962503 -1.162864
H -1.585275 0.425968 1.282632
H -1.275838 0.076485 -1.757172
H -3.517551 -1.387765 -1.850140
H -3.697062 -2.679128 -0.643511
H -4.086184 2.780313 0.307771
H -4.050698 1.727305 1.742602
H -1.463200 -2.163951 0.344284
H -1.313826 -2.366300 -1.408206
H -1.604703 2.897200 0.623056
H -1.122205 2.410600 -1.021587
H -6.041671 1.672962 -0.609250
H -6.377239 1.275485 1.084360
H -2.785479 -1.353331 1.934326
H -4.249930 -0.427687 2.351231
H -4.398314 -2.092740 1.725760
H 0.423814 2.045886 1.622572
H 0.945052 2.961999 0.201495
H 0.734462 -2.288273 -1.414396
H 3.070357 1.668770 0.553056
H 3.222910 -2.288613 -1.209322
H 7.086304 -1.103533 0.108193
H 7.702767 0.503072 0.730330


