%chk=000131983.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000131983

0 1
 I   -3.751200      -2.507400     -0.1119000    
 Br  0.7347000       2.486900      -2.208300    
 O    3.658100      0.2727000      0.6619000    
 O   -2.252800       2.244200      -1.217500    
 N  -0.8290000      -2.412900     -0.9849000    
 N   -1.320500       1.952600      0.8912000    
 C   -1.147500      -1.044300      0.7334000    
 C   0.2226000     -0.9725000      0.3555000    
 C   -1.772400     -0.2847000       1.838900    
 C   0.3958000      -1.840600     -0.7247000    
 C   -1.767900      -1.937900     -0.1090000    
 C   -2.336000       1.081600       1.419200    
 C    1.335400     -0.2501000      0.8302000    
 C    1.631200      -2.023200      -1.356400    
 C    2.577200     -0.4226000      0.2081000    
 C    2.720500      -1.296000     -0.8682000    
 C   -1.364000       2.467100     -0.3975000    
 C  -0.1808000       3.336900     -0.7260000    
 C    3.446500       1.150100       1.765900    
 H   -1.031000     -0.1290000       2.634100    
 H   -2.572300     -0.8681000       2.309000    
 H   -3.142000      0.9551000      0.6886000    
 H   -2.759700       1.582900       2.296100    
 H   -1.009200      -3.086100      -1.716600    
 H    1.171600      0.4124000       1.670700    
 H    1.743500      -2.702600      -2.194400    
 H    3.692100      -1.418900      -1.341200    
 H  -0.5652000       2.225800       1.512800    
 H   0.5342000       3.424700      9.4200000E-02
 H  -0.5142000       4.325200      -1.048600    
 H    4.408600       1.621100       1.992800    
 H    3.140800      0.6023000       2.663800    
 H    2.749600       1.956400       1.512400    


%chk=000131983-Freq.chk
%nprocshared=8
%mem=21GB
#p freq=noraman PBEPBE/SDD

000131983

0 1
I -3.651262 -2.991868 -0.125450
Br 0.973679 3.174068 -1.381141
O 3.798130 0.126381 0.634462
O -2.342709 3.815993 1.158397
N -0.646956 -2.949679 -0.759494
N -1.516199 1.866163 0.162273
C -1.139365 -1.192112 0.647765
C 0.288277 -1.184602 0.354611
C -1.897051 -0.224536 1.522629
C 0.566450 -2.288216 -0.521422
C -1.657702 -2.285427 -0.053659
C -2.524760 0.971706 0.756884
C 1.352273 -0.336381 0.775775
C 1.870502 -2.567104 -0.988787
C 2.651264 -0.620056 0.307045
C 2.908371 -1.722979 -0.566600
C -1.513048 3.213391 0.402862
C -0.471057 4.103172 -0.280009
C 3.616374 1.287331 1.507490
H -1.233932 0.168526 2.315784
H -2.726051 -0.752754 2.032225
H -3.191968 0.587120 -0.038659
H -3.129694 1.591274 1.441577
H -0.778458 -3.778471 -1.335011
H 1.155281 0.507575 1.442536
H 2.077376 -3.410019 -1.656517
H 3.939365 -1.885206 -0.894077
H -0.803578 1.468345 -0.458159
H 0.066558 4.685137 0.482642
H -0.975927 4.784731 -0.981365
H 4.621150 1.718930 1.626130
H 3.220509 0.987632 2.498218
H 2.940859 2.033034 1.044646


