%chk=000019798.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000019798

0 1
 Br -0.5871000      -2.664900      6.5099999E-02
 N    1.655800      0.2745000     -0.4108000    
 N    3.830000      0.2908000      -1.205700    
 N    3.551700     -1.1500000E-02   1.036300    
 C  -0.6791000      0.2023000      0.3528000    
 C   0.7620000      0.1514000      0.7460000    
 C   -1.395800     -0.9497000      2.8500000E-02
 C   -1.306500       1.447600      0.3149000    
 C   -2.739700     -0.8562000     -0.3336000    
 C   -2.650300       1.540900     -4.7200002E-02
 C   -3.366900      0.3891000     -0.3715000    
 C    2.926200      0.1858000     -0.1748000    
 H   0.9588000      0.9819000       1.439300    
 H   0.9758000     -0.7541000       1.324800    
 H  -0.7620000       2.355500      0.5615000    
 H   -3.314600      -1.742600     -0.5897000    
 H   -3.138600       2.510600     -7.7600002E-02
 H   -4.413300      0.4621000     -0.6537000    
 H    3.520600      0.4387000      -2.160300    
 H    4.828900      0.2251000      -1.044200    
 H    4.562700     -6.5600000E-02   1.098400    
 H    3.037100     -0.1023000       1.904800    


%chk=000019798-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000019798

0 1
Br 0.004578 -2.388428 0.119028
N 1.753471 0.798180 -0.127086
N 3.669364 0.135824 -1.297632
N 3.505190 -0.542945 0.935989
C -0.609174 0.476947 0.485079
C 0.813968 0.662793 1.003317
C -1.123131 -0.767225 0.048439
C -1.482321 1.593173 0.402943
C -2.432776 -0.917194 -0.451515
C -2.797917 1.474561 -0.094464
C -3.275299 0.215760 -0.522999
C 2.902521 0.158688 -0.124331
H 0.838017 1.592665 1.607549
H 1.045621 -0.184523 1.692747
H -1.104613 2.570148 0.726714
H -2.789717 -1.898252 -0.778130
H -3.444934 2.356638 -0.148311
H -4.293896 0.107156 -0.910759
H 3.227634 0.567634 -2.107631
H 4.685792 0.163878 -1.232892
H 4.094164 -1.346721 0.723081
H 3.069159 -0.519356 1.854163


