%chk=000030630.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000030630

0 1
 Br   4.398600      0.6379000     -3.1800002E-02
 O   -2.238500      0.5792000     -0.1508000    
 O   -3.532400      -1.264100     -5.1199999E-02
 N   -1.264800      -1.541700      3.1800002E-02
 C  -0.9659000       1.274500      1.5500000E-02
 C   0.2314000      0.3522000     -1.5100000E-02
 C   3.3700000E-02  -1.027300      1.2700000E-02
 C  -0.9236000       2.299300      -1.126200    
 C   -1.053100       1.993200       1.368300    
 C    1.549100      0.8371000     -2.4700001E-02
 C    1.117200      -1.912100      2.6799999E-02
 C   -2.405200     -0.7710000     -4.6900000E-02
 C    2.634800     -4.1099999E-02 -1.7100001E-02
 C    2.418500      -1.416000      8.7000001E-03
 H  -7.0100002E-02   2.980500      -1.050500    
 H  -0.8717000       1.794700      -2.098600    
 H   -1.838000       2.904400      -1.140100    
 H  -0.1786000       2.624100       1.560000    
 H   -1.948500       2.623900       1.418000    
 H   -1.137300       1.271100       2.189500    
 H    1.728200       1.909900     -2.7600000E-02
 H   -1.374000      -2.550900      8.0899999E-02
 H   0.9573000      -2.987000      4.9400002E-02
 H    3.251500      -2.114000      1.7899999E-02


%chk=000030630-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000030630

0 1
Br 4.503884 0.573072 -0.500491
O -2.150861 0.561541 -0.595421
O -3.548680 -1.237239 -0.197818
N -1.281737 -1.439474 0.311314
C -0.927238 1.312426 -0.076923
C 0.279188 0.376048 -0.117035
C 0.053400 -1.000846 0.151491
C -0.830308 2.512809 -1.025498
C -1.238400 1.743926 1.374965
C 1.599114 0.828141 -0.321294
C 1.138004 -1.904162 0.243634
C -2.406257 -0.735687 -0.146498
C 2.673783 -0.080102 -0.227902
C 2.458889 -1.442854 0.062443
H -0.053115 3.220234 -0.687719
H -0.598166 2.185970 -2.052471
H -1.796459 3.043618 -1.037878
H -0.410775 2.357440 1.772797
H -2.167724 2.338522 1.396723
H -1.363840 0.868850 2.036548
H 1.792992 1.882133 -0.538085
H -1.465825 -2.403565 0.594273
H 0.958598 -2.966320 0.445029
H 3.300135 -2.137681 0.134714


