%chk=000088028.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000088028

0 1
 Br -0.8906000      -2.186800      3.8999999E-03
 O   -2.908800     -9.7900003E-02 -9.9999997E-05
 O    2.926100      0.4865000     -3.3000000E-03
 O   -1.639000       1.814700      1.2400000E-02
 O    2.129300      -1.676000      4.0000002E-03
 C   -4.101900      0.6937000     -4.9000001E-03
 C    4.271900     -1.6000000E-03 -3.5999999E-03
 C   -5.304000     -0.2263000     -1.4400000E-02
 C    5.223500       1.175700     -8.2000000E-03
 C  -0.5688000     -0.3439000      2.9000000E-03
 C   0.6446000      0.2366000      2.0000001E-03
 C   -1.737000      0.5946000      8.6000003E-03
 C    1.954700     -0.4693000      6.9999998E-04
 H   -4.125100       1.324100      0.8910000    
 H   -4.114700       1.328800     -0.8977000    
 H    4.439700     -0.6100000      0.8923000    
 H    4.437500     -0.6152000     -0.8962000    
 H   -6.235300      0.3468000     -1.8300001E-02
 H   -5.284700     -0.8762000     -0.8955000    
 H   -5.295000     -0.8809000      0.8634000    
 H    6.263600      0.8381000     -8.3999997E-03
 H    5.055300       1.803700     -0.8893000    
 H    5.057400       1.808900      0.8696000    
 H   0.7269000       1.322000      2.7000001E-03


%chk=000088028-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000088028

0 1
Br -0.904557 -2.292681 -0.004237
O -2.975107 -0.129752 -0.005502
O 2.979069 0.496207 -0.002672
O -1.665704 1.793625 -0.005071
O 2.235418 -1.722064 -0.002444
C -4.202027 0.733375 -0.005794
C 4.388173 -0.001706 -0.001512
C -5.398966 -0.209169 -0.004970
C 5.289021 1.228589 -0.000994
C -0.577376 -0.383689 -0.004519
C 0.665682 0.181257 -0.003988
C -1.770299 0.540653 -0.005352
C 1.982729 -0.493885 -0.003139
H -4.163000 1.379965 0.889297
H -4.163332 1.378745 -0.901785
H 4.530406 -0.635057 0.893105
H 4.531781 -0.635302 -0.895737
H -6.334163 0.379581 -0.005252
H -5.393910 -0.854883 -0.899305
H -5.393661 -0.853638 0.890259
H 6.348800 0.915312 -0.000139
H 5.110558 1.848358 -0.896080
H 5.109187 1.848608 0.893643
H 0.696878 1.277651 -0.004214


