%chk=000019644.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000019644

0 1
 Br  -7.018200      3.3000000E-02  0.2700000    
 N    5.137200     -2.0000000E-02 -0.1519000    
 N  -0.4132000      6.6000000E-02  0.5773000    
 N  -0.9930000     -5.6899998E-02 -0.5272000    
 C    3.738800      1.9000000E-03  3.1599998E-02
 C    3.048400       1.213200     -1.1600000E-02
 C    3.046300      -1.187900      0.2565000    
 C   0.9732000      4.5200001E-02  0.3949000    
 C    1.665600       1.234900      0.1701000    
 C    1.663400      -1.166200      0.4382000    
 C    5.947700       1.112900      0.2480000    
 C    5.783300      -1.181600     -0.7302000    
 C   -2.386100     -3.6100000E-02 -0.3434000    
 C   -3.070700       1.174500     -0.3867000    
 C   -3.070900      -1.226600     -0.1187000    
 C   -4.453300       1.195100     -0.2035000    
 C   -4.453600      -1.206100      6.4400002E-02
 C   -5.144800      4.6999999E-03  2.2000000E-02
 H    3.555600       2.155900     -0.1965000    
 H    3.554400      -2.146600      0.3084000    
 H    1.136000       2.183400      0.1328000    
 H    1.132600      -2.097900      0.6162000    
 H    5.896900       1.910200     -0.5008000    
 H    7.000500      0.8282000      0.3542000    
 H    5.630100       1.510800       1.218500    
 H    6.779800     -0.9306000      -1.110600    
 H    5.213600      -1.577100      -1.578800    
 H    5.906200      -1.970600      1.9099999E-02
 H   -2.539800       2.106200     -0.5624000    
 H   -2.540100      -2.174200     -8.4700003E-02
 H   -4.976800       2.147000     -0.2395000    
 H   -4.977200      -2.142500      0.2389000    


%chk=000019644-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000019644

0 1
Br -7.284839 0.188848 0.100238
N 5.269631 -0.031658 -0.113363
N -0.375450 0.535661 0.015942
N -1.123109 -0.546865 -0.045489
C 3.881747 0.082208 -0.082046
C 3.242834 1.363787 0.011874
C 3.041001 -1.084646 -0.143637
C 1.020556 0.305144 -0.020835
C 1.846121 1.462420 0.041472
C 1.648759 -0.974148 -0.114075
C 6.109748 1.173458 -0.047793
C 5.904878 -1.354283 -0.217016
C -2.528931 -0.284970 -0.005891
C -3.119918 1.008137 0.094523
C -3.365957 -1.430384 -0.073630
C -4.519442 1.147173 0.125809
C -4.770242 -1.301493 -0.042971
C -5.329695 -0.010313 0.056447
H 3.839873 2.278010 0.060420
H 3.490221 -2.079204 -0.215086
H 1.355537 2.439179 0.113108
H 1.012679 -1.863654 -0.161793
H 5.914663 1.854790 -0.899857
H 7.171046 0.883053 -0.080757
H 5.939501 1.739068 0.889970
H 6.998926 -1.233546 -0.236115
H 5.603875 -1.881337 -1.144193
H 5.648020 -2.001305 0.645183
H -2.464326 1.882396 0.146645
H -2.894439 -2.415430 -0.150268
H -4.978830 2.137088 0.202916
H -5.412538 -2.184981 -0.095133


