%chk=000113958.chk
%nprocshared=8
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000113958

0 1
 Br  -3.671800     -3.0000001E-04 -0.1494000    
 N    1.088500      9.9999997E-05 -0.3827000    
 C   0.4148000      -1.281500     -2.1900000E-02
 C   0.4146000       1.281600     -2.1800000E-02
 C   -1.111800      -1.230200     -0.2971000    
 C   -1.111900       1.230100     -0.2970000    
 C   -1.767300     -9.9999997E-05  0.2974000    
 C   0.9559000      -2.415700     -0.9365000    
 C   0.6498000      -1.735000       1.437500    
 C   0.9552000       2.415900     -0.9365000    
 C   0.6498000       1.735100       1.437400    
 C    2.534100      9.9999997E-05 -0.1292000    
 H   -1.596700      -2.136400      9.1200002E-02
 H   -1.286000      -1.244100      -1.383500    
 H   -1.286100       1.243900      -1.383400    
 H   -1.597000       2.136100      9.1399997E-02
 H   -1.730500     -1.9999999E-04   1.390100    
 H   0.3520000      -3.325600     -0.8319000    
 H   0.9236000      -2.123600      -1.992900    
 H    1.985300      -2.697900     -0.6932000    
 H   0.1658000      -2.702100       1.622800    
 H    1.713000      -1.873800       1.660100    
 H   0.2409000      -1.038000       2.169900    
 H    1.984600       2.698300     -0.6935000    
 H   0.9226000       2.123900      -1.992800    
 H   0.3512000       3.325700     -0.8317000    
 H   0.2411000       1.038000       2.169800    
 H    1.712900       1.874100       1.659700    
 H   0.1656000       2.702000       1.622700    
 H    3.029500      0.8624000     -0.5836000    
 H    3.029600     -0.8619000     -0.5839000    
 H    2.774500       0.000000      0.9383000    


%chk=000113958-Freq.chk
%nprocshared=8
%mem=21GB
#p freq=noraman PBEPBE/SDD

000113958

0 1
Br -3.781852 -0.000314 -0.227347
N 1.051313 0.000085 -0.406187
C 0.414322 -1.304449 0.008006
C 0.414109 1.304519 0.008021
C -1.116024 -1.252680 -0.313298
C -1.116233 1.252496 -0.313268
C -1.772346 -0.000153 0.253267
C 0.990779 -2.451541 -0.871854
C 0.634196 -1.696436 1.507241
C 0.990326 2.451740 -0.871833
C 0.633922 1.696531 1.507258
C 2.527420 0.000167 -0.325682
H -1.591979 -2.164166 0.089887
H -1.244360 -1.256589 -1.411558
H -1.244579 1.256412 -1.411527
H -1.592337 2.163893 0.089942
H -1.811729 -0.000170 1.353998
H 0.332650 -3.336757 -0.804123
H 1.040121 -2.130706 -1.927124
H 1.997325 -2.769614 -0.546993
H 0.307112 -2.739137 1.676101
H 1.704652 -1.636117 1.774792
H 0.073505 -1.052829 2.205581
H 1.996736 2.770139 -0.546876
H 1.039880 2.130873 -1.927082
H 0.331924 3.336762 -0.804216
H 0.073354 1.052812 2.205594
H 1.704390 1.636404 1.774800
H 0.306649 2.739169 1.676135
H 2.931660 0.883813 -0.843860
H 2.931750 -0.883405 -0.843923
H 2.939145 0.000148 0.711927


