%chk=000023091.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000023091

0 1
 Br -0.7343000      -3.516800      6.9999998E-04
 F    4.262200     -0.7448000     -2.6000000E-03
 F    3.928100       1.109900      -1.086700    
 F    3.904700       1.105900       1.093600    
 O   -3.947100       2.048800     -3.9999999E-04
 O   -4.750800      5.9000002E-03 -1.5000000E-03
 N    1.151000       1.156100      9.9999997E-05
 N    1.470700      -1.043400      5.0000002E-04
 N   -3.784100      0.8051000     -6.9999998E-04
 C  -0.1041000      0.6039000     -9.9999997E-05
 C   0.1221000     -0.7698000       0.000000    
 C    2.057300      0.1326000      1.9999999E-04
 C   -1.379100       1.170700     -5.0000002E-04
 C  -0.9771000      -1.645000       0.000000    
 C   -2.461700      0.2850000     -7.9999998E-04
 C   -2.266600      -1.098300     -3.0000001E-04
 C    3.508600      0.3943000     -1.5000000E-03
 H    1.365200       2.144700     -1.9999999E-04
 H   -1.493800       2.249300     -5.0000002E-04
 H   -3.114500      -1.781100     -1.9999999E-04


%chk=000023091-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000023091

0 1
Br -0.723111 -3.594173 -0.000925
F 4.317214 -0.787761 0.002120
F 3.940890 1.152201 -1.132034
F 3.940499 1.152358 1.135099
O -3.973682 2.106949 -0.000221
O -4.810965 -0.018007 -0.001107
N 1.179054 1.185237 0.000344
N 1.499987 -1.084836 0.000330
N -3.831541 0.822139 -0.001507
C -0.101736 0.623425 -0.000112
C 0.124957 -0.803378 -0.000160
C 2.083876 0.121901 0.000684
C -1.381270 1.201047 -0.000560
C -0.992214 -1.677533 -0.000698
C -2.445315 0.280643 -0.001008
C -2.282965 -1.133860 -0.001082
C 3.559322 0.377173 0.001417
H 1.413500 2.178488 0.000619
H -1.583993 2.274300 -0.000579
H -3.175806 -1.763315 -0.001520


