%chk=000121404.chk
%nprocshared=12
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000121404

0 1
 Br  0.6405000      -3.195500      0.2047000    
 N   -1.829100      0.1908000      6.1000001E-02
 C   -1.314100      -1.160600     -0.1570000    
 C   2.1500001E-02  -1.363300      0.5653000    
 C   -2.119200      0.4046000       1.478300    
 C   -3.027200      0.4177000     -0.7460000    
 C    1.137400     -0.4172000      0.1916000    
 C   -2.594200       1.826900       1.705500    
 C   -2.718300      0.1942000      -2.213900    
 C    2.096300     -9.0899996E-02   1.137300    
 C    1.181900      0.1078000      -1.090100    
 C    3.127000      0.7835000      0.7923000    
 C    2.212600      0.9820000      -1.435200    
 C    3.185100       1.319900     -0.4939000    
 H   -2.041400      -1.905900      0.1969000    
 H   -1.157300      -1.390400      -1.214500    
 H  -0.1189000      -1.381000       1.651000    
 H   -2.864900     -0.3040000       1.859800    
 H   -1.218800      0.2964000       2.089700    
 H   -3.861700     -0.2251000     -0.4391000    
 H   -3.360000       1.457500     -0.6673000    
 H   -1.945000       2.559100       1.212800    
 H   -3.625800       1.984400       1.375900    
 H   -2.576900       2.050500       2.778500    
 H   -1.790100      0.6867000      -2.522400    
 H   -2.677200     -0.8650000      -2.485200    
 H   -3.522800      0.6271000      -2.820500    
 H    2.060800     -0.5026000       2.141800    
 H   0.4618000     -0.1488000      -1.858100    
 H    3.884400       1.046300       1.525000    
 H    2.261800       1.395400      -2.438300    
 H    3.988400       1.999500     -0.7630000    


%chk=000121404-Freq.chk
%nprocshared=12
%mem=21GB
#p freq=noraman PBEPBE/SDD

000121404

0 1
Br 0.688165 -3.254989 0.910017
N -2.029574 -0.000329 0.350636
C -1.371052 -1.303450 0.118431
C 0.036306 -1.267232 0.762453
C -2.782869 0.058469 1.630796
C -2.768590 0.547668 -0.815716
C 1.084070 -0.447351 0.053895
C -2.843525 1.474474 2.235620
C -1.847603 1.078004 -1.929945
C 1.754568 0.587119 0.754039
C 1.411353 -0.674021 -1.308636
C 2.718918 1.390906 0.105596
C 2.377254 0.121971 -1.957025
C 3.032508 1.161481 -1.253113
H -1.947947 -2.152570 0.547809
H -1.276173 -1.495072 -0.964230
H -0.039761 -0.984506 1.824417
H -3.819332 -0.344416 1.506805
H -2.276869 -0.611129 2.351943
H -3.475801 -0.210210 -1.237976
H -3.391072 1.383748 -0.448979
H -1.822845 1.860705 2.402757
H -3.369929 2.184364 1.572391
H -3.381903 1.458248 3.201660
H -1.178170 1.860402 -1.533229
H -1.212418 0.281998 -2.356808
H -2.451312 1.504835 -2.752698
H 1.513458 0.767365 1.808668
H 0.931389 -1.496856 -1.851594
H 3.224894 2.189925 0.658912
H 2.626257 -0.068832 -3.006915
H 3.784205 1.779282 -1.757081


