%chk=000090018.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000090018

0 1
 Br  -5.650800     -0.8333000       1.446400    
 O  -0.5267000      -1.993100     -0.6705000    
 O    3.884100     -0.9385000      0.5327000    
 N   -1.034100      0.9520000     -0.5407000    
 N    2.362700      0.8068000      0.3021000    
 N    1.688200      -1.489700     -6.8599999E-02
 N   0.5447000       2.435200     -1.3500000E-02
 C   0.1055000      0.2338000     -0.3172000    
 C   -2.333600      0.4452000     -0.9115000    
 C    1.055200       1.165000      3.5999999E-03
 C   0.3394000      -1.172400     -0.3807000    
 C   -3.229200      0.1096000      0.2836000    
 C  -0.7194000       2.272100     -0.3457000    
 C    2.735400     -0.5606000      0.2759000    
 C    3.339300       1.835400      0.6380000    
 C   -4.612300     -0.3650000     -0.1342000    
 C    2.051600      -2.902500     -9.9699996E-02
 H   -2.198400     -0.4237000      -1.562900    
 H   -2.813700       1.217200      -1.526200    
 H   -2.738900     -0.6595000      0.8947000    
 H   -3.321300      0.9928000      0.9294000    
 H   -1.447100       3.064300     -0.4575000    
 H    4.321100       1.403800      0.8482000    
 H    2.994800       2.376900       1.524400    
 H    3.431100       2.527400     -0.2048000    
 H   -4.564600      -1.264500     -0.7539000    
 H   -5.170300      0.4142000     -0.6601000    
 H    1.213800      -3.550600     -0.3663000    
 H    2.428700      -3.187700      0.8877000    
 H    2.859200      -3.039200     -0.8259000    


%chk=000090018-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000090018

0 1
Br -5.546984 -1.160119 1.502456
O -0.612835 -1.988538 -0.676681
O 3.823502 -0.999312 0.589880
N -1.068073 1.098599 -0.618623
N 2.361106 0.814175 0.303916
N 1.611101 -1.461597 -0.034341
N 0.624918 2.541893 -0.073908
C 0.063599 0.313901 -0.339401
C -2.411839 0.592836 -0.963921
C 1.078762 1.229920 -0.016523
C 0.261461 -1.111938 -0.380997
C -3.161217 0.053331 0.283183
C -0.679138 2.416717 -0.438480
C 2.671430 -0.567039 0.305525
C 3.406982 1.800228 0.641344
C -4.513362 -0.535892 -0.127778
C 1.971047 -2.898896 -0.023227
H -2.291066 -0.216733 -1.704116
H -2.971634 1.422882 -1.432432
H -2.547025 -0.732191 0.755654
H -3.304679 0.868341 1.015690
H -1.359316 3.252890 -0.583484
H 4.334797 1.244994 0.840662
H 3.109141 2.377749 1.532376
H 3.551722 2.498870 -0.199377
H -4.405766 -1.433990 -0.755489
H -5.177200 0.197483 -0.613051
H 1.065583 -3.465703 -0.284116
H 2.336172 -3.187577 0.975616
H 2.773209 -3.093883 -0.753555


