%chk=000055962.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000055962

0 1
 Br  -3.816000       2.740500     -6.0000003E-04
 F    3.877000      -1.227000      2.6000000E-03
 F    4.049700      0.6470000      -1.085900    
 F    4.021700      0.6550000       1.094200    
 O   -2.701700      -2.611100       0.000000    
 O  -0.5122000      -2.821600     -7.9999998E-04
 N    1.382700       1.432100     -2.7999999E-03
 N    1.106300     -0.7733000     -1.1000000E-03
 N   -1.549200      -2.114900      9.9999997E-05
 C   2.5900001E-02   1.233200     -1.9000000E-03
 C  -0.1210000     -0.1511000     -8.9999998E-04
 C   -1.413200     -0.7028000      3.0000001E-04
 C   -2.511100      0.1669000      3.0000001E-04
 C    1.984500      0.2045000     -2.2000000E-03
 C   -1.052700       2.118500     -1.8000000E-03
 C   -2.331700       1.552200     -6.9999998E-04
 C   -3.891700     -0.4196000      1.7000000E-03
 C    3.452700      7.1400002E-02 -5.0000002E-04
 H    1.851900       2.328200     -3.3000000E-03
 H  -0.8929000       3.191500     -2.4999999E-03
 H   -4.072100      -1.003000      0.9118000    
 H   -4.700900      0.3120000      3.3000000E-03
 H   -4.074200      -1.002000     -0.9085000    


%chk=000055962-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000055962

0 1
Br -3.793361 2.838735 -0.002180
F 3.976382 -1.224901 0.003168
F 4.090038 0.745582 -1.132357
F 4.090123 0.749085 1.132391
O -2.771613 -2.735899 -0.000127
O -0.512182 -2.938421 0.002909
N 1.423759 1.464961 -0.000289
N 1.169112 -0.811862 0.000705
N -1.581161 -2.222727 0.000278
C 0.047899 1.231435 -0.000457
C -0.103009 -0.198273 0.000181
C -1.428377 -0.738773 0.000045
C -2.572793 0.122397 -0.000375
C 2.033932 0.209848 0.000538
C -1.038505 2.117902 -0.001196
C -2.316808 1.538975 -0.001079
C -4.002087 -0.385929 -0.000010
C 3.526169 0.089063 0.000905
H 1.892949 2.370701 -0.000548
H -0.912408 3.203024 -0.001834
H -4.197403 -1.026585 0.875883
H -4.710635 0.453755 0.000792
H -4.198220 -1.025491 -0.876546


