%chk=000012158.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000012158

0 1
 Br   3.611500     -0.3198000      5.2099999E-02
 N   -2.430600      0.4296000     -8.1699997E-02
 N   -3.295100     -0.6147000      0.1495000    
 C   -1.031500      0.2559000     -5.0600000E-02
 C  -0.1917000       1.368400      9.9999997E-05
 C  -0.4875000      -1.028400     -7.0600003E-02
 C    1.192200       1.196700      3.0600000E-02
 C   0.8965000      -1.200200     -3.9999999E-02
 C    1.736400     -8.7600000E-02  1.0600000E-02
 H  -0.6032000       2.374400      1.6100001E-02
 H   -1.109800      -1.917900     -0.1172000    
 H    1.832700       2.074000      7.0000000E-02
 H    1.304800      -2.207400     -5.7799999E-02
 H   -2.791600       1.373900     -7.8999996E-03
 H   -4.187400     -0.4018000     -0.2943000    
 H   -3.484000     -0.6661000       1.149800    


%chk=000012158-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000012158

0 1
Br 3.693566 -0.363052 -0.131572
N -2.442962 0.511951 0.122011
N -3.357268 -0.534556 0.166244
C -1.055663 0.289989 0.065957
C -0.172030 1.407412 0.037623
C -0.510751 -1.022572 0.034836
C 1.223594 1.217421 -0.020697
C 0.885807 -1.212758 -0.023393
C 1.742867 -0.093674 -0.050732
H -0.573941 2.428255 0.060412
H -1.194381 -1.875450 0.056365
H 1.893962 2.081758 -0.042230
H 1.297604 -2.226242 -0.047097
H -2.776903 1.479485 0.149561
H -3.890638 -0.726137 -0.682198
H -3.801163 -0.732829 1.063609


