%chk=000059279.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000059279

0 1
 Br   3.663300      -2.731600      0.1436000    
 N   -1.399200      0.6330000     -0.4546000    
 N   -3.656900       1.093400     -0.3384000    
 N   -2.952800     -0.9151000      0.4493000    
 C  -0.1843000     -8.0899999E-02 -0.3086000    
 C    1.038600      0.5811000     -0.1118000    
 C   -4.898400      0.5257000      9.1200002E-02
 C   -2.629200      0.2299000     -0.1029000    
 C   -4.434900     -0.8364000      0.6233000    
 C    2.222900     -0.1808000      2.9300001E-02
 C  -0.2386000      -1.473900     -0.3651000    
 C    1.112200       1.982200     -5.2000001E-02
 C    2.149600      -1.582000     -3.0300001E-02
 C    3.445800      0.4811000      0.2262000    
 C   0.9260000      -2.223000     -0.2264000    
 C    2.335800       2.623300      0.1442000    
 C    3.500400       1.874100      0.2830000    
 H   -5.598400      0.4146000     -0.7420000    
 H   -5.363100       1.127200      0.8778000    
 H   -4.683700     -0.9482000       1.684000    
 H   -4.909900      -1.654900      7.2099999E-02
 H   -1.307700       1.573300     -0.8219000    
 H   -3.574000       2.012500     -0.7547000    
 H   -1.149600      -2.022700     -0.5769000    
 H   0.2361000       2.618000     -0.1415000    
 H    4.385500     -5.0799999E-02  0.3409000    
 H   0.8604000      -3.306700     -0.2875000    
 H    2.379100       3.707500      0.1914000    
 H    4.452300       2.374200      0.4363000    


%chk=000059279-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000059279

0 1
Br 3.822265 -2.730407 0.253565
N -1.381179 0.668198 -0.120448
N -3.708733 1.220147 -0.092696
N -3.121362 -1.028093 -0.042971
C -0.197968 -0.100673 -0.025103
C 1.077975 0.593532 -0.036708
C -5.019003 0.547445 0.107232
C -2.701703 0.221828 -0.070436
C -4.616755 -0.971999 -0.021616
C 2.309735 -0.179663 0.039545
C -0.237734 -1.499938 0.079783
C 1.185977 2.022180 -0.117392
C 2.202730 -1.607610 0.144563
C 3.564619 0.513085 0.011414
C 0.967906 -2.249310 0.170521
C 2.423897 2.668519 -0.141040
C 3.626920 1.903803 -0.080295
H -5.750127 0.852751 -0.660836
H -5.438898 0.777749 1.106665
H -5.007638 -1.578889 0.814099
H -5.004252 -1.406789 -0.961720
H -1.267875 1.655951 -0.341766
H -3.546588 2.142280 0.317258
H -1.210230 -1.999190 0.079330
H 0.288537 2.652270 -0.147453
H 4.485326 -0.075599 0.065403
H 0.912043 -3.338587 0.250422
H 2.471758 3.761035 -0.200923
H 4.597655 2.410072 -0.100397


