%chk=000158884.chk
%nprocshared=12
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000158884

0 1
 Br -0.8394000      -1.809900       1.134900    
 Br  -5.734000      -4.080800     -0.3792000    
 Br   6.024500       2.193300       1.079700    
 Br   1.414500      0.1160000      -1.645800    
 O   -3.850500      0.6062000      0.7640000    
 O   -2.417700     -0.6185000     -0.7795000    
 O   -3.866000       2.628000      -1.505100    
 O   -1.806000       4.267300       1.004200    
 O   -3.400900      -3.415500       1.359800    
 O    3.186000       2.175800     -0.1599000    
 N   -2.965300       1.585900       1.285300    
 N  -0.2551000       3.001600     -0.2179000    
 N    6.205400      -5.020200      0.2723000    
 C   -3.470300      0.3489000     -0.6102000    
 C   -2.900000       1.694600      -1.067500    
 C   -4.692500     -8.0399998E-02  -1.420900    
 C   -2.441700       2.162500      0.2591000    
 C   -5.229600      -1.459300      -1.161400    
 C   -1.465000       3.263000      0.3904000    
 C   -2.437500      -1.634500      0.1505000    
 C   -4.733600      -2.464200     -0.4149000    
 C   0.8497000       3.932700     -0.2174000    
 C   -3.489200      -2.454500      0.3571000    
 C    1.773900       3.740600      0.9778000    
 C    2.409200       2.356000       1.016800    
 C    3.816600      0.9677000     -0.3051000    
 C    5.099200      -1.492100     -0.5995000    
 C    5.784600      -2.807400     -0.7566000    
 C    5.106600      0.7895000      0.1947000    
 C    3.167900     -8.4100001E-02 -0.9521000    
 C    5.747900     -0.4404000      4.7499999E-02
 C    3.809100      -1.314100      -1.099200    
 C    5.508700      -3.747400      0.4255000    
 C   -3.909800      -2.906400       2.572400    
 H   -2.095200       1.602900      -1.801100    
 H   -5.516000      0.6211000      -1.236800    
 H   -4.450300     -3.5700001E-02  -2.490600    
 H   -6.167000      -1.637000      -1.690900    
 H   -3.398600       3.445500      -1.748000    
 H  -0.1140000       2.107600     -0.6790000    
 H    1.389000       3.800200      -1.160900    
 H   0.4479000       4.952100     -0.2055000    
 H    2.564600       4.498500      0.9240000    
 H    1.219800       3.905900       1.909200    
 H    3.049100       2.284000       1.903600    
 H    1.641700       1.578200       1.099700    
 H    5.464900      -3.280900      -1.694500    
 H    6.866100      -2.648600     -0.8632000    
 H    6.753100     -0.5855000      0.4370000    
 H    3.307000      -2.138500      -1.600700    
 H    4.432300      -3.936000      0.5149000    
 H    5.833100      -3.279900       1.362200    
 H   -3.374100      -2.011500       2.907100    
 H   -4.980200      -2.684500       2.498700    
 H   -3.784100      -3.674300       3.341900    
 H    5.952900      -5.638400       1.042200    
 H    5.891100      -5.481700     -0.5803000    


%chk=000158884-Freq.chk
%nprocshared=12
%mem=21GB
#p freq=noraman PBEPBE/SDD

000158884

0 1
Br -1.953301 -1.959095 2.379037
Br -6.330571 -3.947162 -0.765022
Br 5.763838 2.710643 -0.298972
Br 1.034733 -0.706637 -0.196838
O -4.052204 0.690670 0.634846
O -2.523349 -1.007276 -0.203735
O -2.803782 2.106841 -2.020026
O -1.615493 4.194328 1.394671
O -4.648974 -3.330869 1.731845
O 2.720899 1.963785 -0.098515
N -3.241685 1.764082 1.240238
N -0.094790 3.055187 0.032688
N 7.191539 -4.629505 -0.193101
C -3.363283 0.198696 -0.580569
C -2.314129 1.278434 -0.915902
C -4.370194 -0.158247 -1.657651
C -2.267367 2.057489 0.400150
C -5.156020 -1.441846 -1.499391
C -1.314643 3.190689 0.686119
C -3.060905 -1.828846 0.776740
C -5.114443 -2.388176 -0.518217
C 0.956113 4.081849 0.145408
C -4.260271 -2.488682 0.681631
C 1.964937 3.822987 1.294729
C 2.488125 2.381586 1.325202
C 3.524773 0.833474 -0.290671
C 5.157557 -1.453328 -0.897293
C 6.022160 -2.670016 -1.175127
C 4.930531 0.946566 -0.457753
C 2.966308 -0.463623 -0.430368
C 5.738016 -0.167935 -0.753988
C 3.755257 -1.588472 -0.731235
C 6.323619 -3.484358 0.116338
C -5.752885 -2.797250 2.569339
H -1.360219 0.785123 -1.178736
H -5.064934 0.697991 -1.758103
H -3.829726 -0.203523 -2.622517
H -5.851900 -1.615686 -2.329177
H -2.136186 2.812854 -2.218044
H 0.197423 2.148378 -0.348963
H 1.500530 4.108955 -0.813048
H 0.459004 5.052701 0.307553
H 2.807756 4.525997 1.162020
H 1.490490 4.040173 2.269905
H 3.439118 2.308654 1.884005
H 1.749753 1.684357 1.765802
H 5.515791 -3.338021 -1.899880
H 6.989512 -2.379830 -1.621289
H 6.817090 -0.039273 -0.882315
H 3.281673 -2.568745 -0.845720
H 5.351737 -3.758075 0.594856
H 6.855398 -2.830435 0.832676
H -5.433770 -1.862933 3.066285
H -6.657081 -2.618014 1.958890
H -5.951113 -3.581314 3.314276
H 7.701242 -5.019941 0.602724
H 6.761096 -5.351975 -0.777004


