%chk=000122910.chk
%nprocshared=8
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000122910

0 1
 Br  -8.491300      0.1423000       2.770300    
 Br  -6.613300      -2.623000      -2.978400    
 Br   8.489700      0.1408000      -2.770300    
 Br   6.610600      -2.623300       2.978700    
 Br  -10.47260      -2.139900       1.304000    
 Br  -9.530500      -3.526900      -1.579700    
 Br   10.47010      -2.142000      -1.303800    
 Br   9.527600      -3.528300       1.580100    
 O   -5.902700       1.282800       1.916500    
 O   -4.540000     -0.7277000      -2.062300    
 O    5.901500       1.282400      -1.916700    
 O    4.538200     -0.7275000       2.062400    
 N   -4.791700      0.5569000     -6.6900000E-02
 N    4.790200      0.5569000      6.6799998E-02
 C   1.2000001E-03   3.674400     -1.9999999E-04
 C   -3.590200       1.338600     -5.0400000E-02
 C    3.589100       1.339100      5.0299998E-02
 C   -1.249100       2.861500     -1.7500000E-02
 C    1.271500       2.848000      1.7600000E-02
 C   -6.810200     -0.3436000      0.5055000    
 C   -6.421300     -0.9162000     -0.6892000    
 C    6.808400     -0.3443000     -0.5056000    
 C    6.419300     -0.9166000      0.6893000    
 C   -5.778600      0.6070000      0.9112000    
 C   -5.126800     -0.3532000      -1.063000    
 C    5.777200      0.6066000     -0.9113000    
 C    5.125100     -0.3532000       1.063000    
 C   -3.019700       1.720800       1.165700    
 C    3.021500       1.719600      -1.165800    
 C   -2.985800       1.720400      -1.250100    
 C    2.987600       1.719500       1.249900    
 C   -1.850700       2.481500       1.182100    
 C    1.852700       2.480700      -1.182300    
 C   -1.816700       2.481000      -1.233700    
 C    1.818700       2.480500       1.233500    
 C   -7.999300     -0.6785000       1.122700    
 C   -7.197100      -1.859800      -1.333200    
 C    7.997400     -0.6796000      -1.122700    
 C    7.194700      -1.860500       1.333400    
 C   -8.802900      -1.630800      0.4898000    
 C   -8.405200      -2.216500     -0.7279000    
 C    8.800700      -1.632200     -0.4897000    
 C    8.402700      -2.217600      0.7281000    
 H   1.9099999E-02   4.352600     -0.8649000    
 H  -5.1000002E-03   4.352600      0.8647000    
 H   -3.444700       1.419400       2.118200    
 H    3.446100       1.417600      -2.118100    
 H   -3.414700       1.466300      -2.214600    
 H    3.416700       1.465600       2.214200    
 H   -1.416100       2.766400       2.136500    
 H    1.415200       2.767500      -2.133900    
 H   -1.362000       2.776000      -2.175700    
 H    1.361300       2.777600       2.172500    


%chk=000122910-Freq.chk
%nprocshared=8
%mem=21GB
#p freq=noraman PBEPBE/SDD

000122910

0 1
Br -7.930341 -1.264376 3.067688
Br -7.760112 -1.143871 -3.676399
Br 7.927799 -1.279914 -3.064834
Br 7.760116 -1.144308 3.679022
Br -10.402552 -2.761575 1.288540
Br -10.315668 -2.705000 -2.078557
Br 10.399109 -2.775722 -1.283288
Br 10.313250 -2.712035 2.083741
O -5.330156 0.341657 2.145005
O -5.194768 0.395205 -2.568532
O 5.329424 0.330732 -2.144753
O 5.196169 0.395417 2.568659
N -4.944763 0.561889 -0.200319
N 4.945485 0.556884 0.200182
C 0.002018 3.607077 -0.002654
C -3.714911 1.311466 -0.156249
C 3.716394 1.307639 0.154904
C -1.284838 2.787618 -0.071549
C 1.287943 2.786128 0.067681
C -6.870037 -0.610985 0.439766
C -6.833500 -0.587509 -0.976711
C 6.869166 -0.619554 -0.437994
C 6.833180 -0.592882 0.978448
C -5.665832 0.125252 0.960011
C -5.601855 0.159183 -1.409766
C 5.665490 0.116761 -0.959424
C 5.602618 0.156270 1.410319
C -2.726999 0.995928 0.809178
C 2.727329 0.990147 -0.808644
C -3.492235 2.359399 -1.080044
C 3.495708 2.358658 1.075669
C -1.529379 1.734633 0.847189
C 1.530475 1.730073 -0.847971
C -2.281392 3.080929 -1.034032
C 2.285622 3.081366 1.028470
C -7.912023 -1.246161 1.132754
C -7.838093 -1.197504 -1.743488
C 7.910229 -1.257373 -1.129933
C 7.837359 -1.202334 1.746207
C -8.945097 -1.873669 0.369481
C -8.908454 -1.849691 -1.056249
C 8.942895 -1.884320 -0.365650
C 8.906741 -1.857243 1.060039
H 0.043443 4.273272 -0.887210
H -0.038425 4.274993 0.880642
H -2.898234 0.190993 1.527855
H 2.897154 0.182795 -1.524955
H -4.245971 2.598845 -1.833771
H 4.250428 2.599564 1.827955
H -0.768025 1.482394 1.593858
H 0.768220 1.476355 -1.593210
H -2.114108 3.887657 -1.757569
H 2.119804 3.890546 1.749596


