%chk=000063429.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000063429

0 1
 Br  -6.637200       3.475500      0.1096000    
 O    6.158800       2.031500     -0.7109000    
 O    2.450600     -0.3349000       1.653600    
 O   -3.066200      -2.286900     -0.2987000    
 N    3.545300       1.626400      0.3413000    
 N   0.6155000     -0.4954000      0.1966000    
 N   -1.833100     -0.3016000     -0.1549000    
 C    2.097400       1.489800      0.1975000    
 C    4.245500      0.5718000     -0.4051000    
 C    3.992700       2.949000     -0.1167000    
 C  -0.5056000      0.2761000     -0.3520000    
 C    1.747500      0.1265000      0.7514000    
 C   0.5037000      -1.916600      6.8099998E-02
 C    5.754000      0.7420000     -0.2496000    
 C    5.507400       3.063500      3.0800000E-02
 C  -0.7498000      -2.500600     -0.1729000    
 C   -1.995200      -1.690700     -0.2079000    
 C   -2.966900      0.5900000     -9.2399999E-02
 C    1.625800      -2.762400      0.1277000    
 C  -0.8672000      -3.893500     -0.3292000    
 C    1.502500      -4.145500     -2.9100001E-02
 C   0.2563000      -4.711400     -0.2558000    
 C   -4.142700      0.1701000      0.5221000    
 C   -2.876300       1.863000     -0.6471000    
 C   -5.238200       1.031400      0.5825000    
 C   -3.971800       2.724300     -0.5867000    
 C   -5.152800       2.308500      2.8000001E-02
 H    1.573900       2.242300      0.7973000    
 H    1.788200       1.580900     -0.8495000    
 H    3.987400      0.6353000      -1.471100    
 H    4.012500     -0.4424000     -7.4199997E-02
 H    3.716300       3.101200      -1.168200    
 H    3.516500       3.737500      0.4771000    
 H  -0.4729000       1.262300      0.1214000    
 H  -0.3332000      0.3842000      -1.430100    
 H    6.278000     -4.6999999E-03 -0.8549000    
 H    6.071900      0.6077000      0.7915000    
 H    5.816700       3.009900       1.081800    
 H    5.848800       4.024800     -0.3662000    
 H    2.626300      -2.367200      0.2744000    
 H   -1.831000      -4.364400     -0.5061000    
 H    2.385400      -4.776300      1.9800000E-02
 H   0.1579000      -5.785800     -0.3782000    
 H   -4.238800     -0.7904000       1.016900    
 H   -1.987200       2.217000      -1.159800    
 H   -6.147300      0.6970000       1.075800    
 H   -3.891200       3.714000      -1.029000    


%chk=000063429-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000063429

0 1
Br -5.014971 4.594616 0.431534
O 5.579193 3.285756 0.165683
O 2.851068 -1.176652 0.439399
O -3.090019 -2.075407 0.704580
N 3.219870 1.597796 0.127880
N 0.728348 -1.181898 -0.530356
N -1.618139 -0.561082 -0.341424
C 2.000850 0.982419 -0.400743
C 4.455622 1.203754 -0.600274
C 3.107037 3.077438 0.220047
C -0.399109 -0.495721 -1.184788
C 1.918983 -0.536510 -0.114878
C 0.441142 -2.565910 -0.267060
C 5.683045 1.817288 0.089220
C 4.360397 3.650091 0.903344
C -0.928555 -2.895363 -0.030243
C -1.980408 -1.841698 0.139930
C -2.435636 0.606946 -0.171208
C 1.426310 -3.582162 -0.255512
C -1.296355 -4.246463 0.182505
C 1.036676 -4.921522 -0.044192
C -0.322056 -5.261482 0.167120
C -3.181855 0.806254 1.021211
C -2.486585 1.595080 -1.189779
C -3.944625 1.978349 1.195906
C -3.240966 2.775413 -1.014794
C -3.962095 2.957876 0.180839
H 1.134478 1.477428 0.080918
H 1.888274 1.141643 -1.509421
H 4.418926 1.550371 -1.665125
H 4.540711 0.104825 -0.581479
H 2.997690 3.549553 -0.789624
H 2.213939 3.336723 0.820667
H -0.154176 0.555446 -1.368779
H -0.586892 -0.993659 -2.157373
H 6.601408 1.616753 -0.486348
H 5.780797 1.394548 1.111385
H 4.420423 3.265435 1.943970
H 4.336296 4.752336 0.914134
H 2.475130 -3.323665 -0.401324
H -2.350160 -4.462699 0.384787
H 1.802151 -5.705129 -0.047392
H -0.610568 -6.304768 0.329575
H -3.177441 0.042961 1.800700
H -1.972048 1.445176 -2.144973
H -4.513170 2.124806 2.118498
H -3.274735 3.527512 -1.807842


