%chk=000059537.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000059537

1 1
 Br  -2.466800       1.922000      9.3000000E-03
 N   0.5773000     -0.1158000     -1.5000000E-03
 C   0.3877000      -1.318500      0.9117000    
 C   0.6608000       1.150700      0.8383000    
 C    1.863100     -0.2819000     -0.7985000    
 C  -0.6026000     -1.3600000E-02 -0.9574000    
 C   0.3054000      -2.574100      7.1300000E-02
 C    1.835200       1.043300       1.786300    
 C    2.046200      0.9162000      -1.704200    
 C   -1.920900      0.1527000     -0.2656000    
 C   -2.685400     -0.8810000      0.1102000    
 H    1.267000      -1.423900       1.552900    
 H  -0.4852000      -1.168900       1.552500    
 H   0.6950000       2.040500      0.2059000    
 H  -0.2307000       1.200700       1.468800    
 H    2.710400     -0.4566000     -0.1310000    
 H    1.762500      -1.159700      -1.444300    
 H  -0.4556000      0.8695000      -1.586700    
 H  -0.5963000     -0.8583000      -1.652800    
 H   4.4199999E-02  -3.406200      0.7378000    
 H  -0.4401000      -2.594300     -0.7212000    
 H    1.272900      -2.853600     -0.3571000    
 H    1.871700       1.969000       2.375700    
 H    1.748100      0.2464000       2.527600    
 H    2.807800      0.9848000       1.294000    
 H    2.996100      0.7834000      -2.238900    
 H    1.297200       1.003700      -2.494200    
 H    2.148800       1.869900      -1.183800    
 H   -3.640600     -0.7232000      0.6018000    
 H   -2.407500      -1.910300     -7.3799998E-02


%chk=000059537-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000059537

1 1
Br -2.573113 2.051098 0.083673
N 0.554711 -0.145346 0.003813
C 0.405176 -1.416705 0.883103
C 0.659135 1.089365 0.943909
C 1.817237 -0.279498 -0.890524
C -0.684429 0.016537 -0.935794
C 0.407619 -2.757606 0.137594
C 1.946409 1.187141 1.772209
C 2.186950 0.964035 -1.709480
C -2.024284 0.190052 -0.254651
C -2.893921 -0.813952 0.009992
H 1.242029 -1.385719 1.598662
H -0.533655 -1.278078 1.444512
H 0.537041 1.976113 0.301721
H -0.222157 1.035704 1.603717
H 2.637994 -0.557889 -0.208846
H 1.627617 -1.134657 -1.559420
H -0.465266 0.880411 -1.580983
H -0.702217 -0.891205 -1.560911
H 0.210291 -3.548618 0.882865
H -0.380838 -2.841493 -0.629668
H 1.379018 -2.994497 -0.325769
H 1.868325 2.101586 2.386974
H 2.084470 0.348567 2.474664
H 2.855732 1.292719 1.158087
H 3.122577 0.737160 -2.250918
H 1.437130 1.223030 -2.475217
H 2.382848 1.852896 -1.088096
H -3.880727 -0.633906 0.444484
H -2.636002 -1.854347 -0.226602


