%chk=000051301.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000051301

1 1
 Br   3.457500      -1.977300      0.1557000    
 N   -2.315600     -0.2406000      0.1058000    
 C   -1.345200      5.8800001E-02  -1.027700    
 C   -2.353300      0.9394000       1.066400    
 C   -3.706700     -0.4739000     -0.4659000    
 C   -1.857500      -1.486300      0.8504000    
 C   5.6600001E-02  0.3030000     -0.5523000    
 C   0.9422000     -0.7632000     -0.4404000    
 C   0.4584000       1.594500     -0.2293000    
 C    2.245900     -0.5351000      9.9999997E-05
 C    1.762000       1.822700      0.2112000    
 C    2.655700      0.7579000      0.3259000    
 H   -1.729200      0.9322000      -1.570900    
 H   -1.377500     -0.7891000      -1.724500    
 H   -2.557900       1.851400      0.4980000    
 H   -3.162600      0.7628000       1.782800    
 H   -1.411300       1.006600       1.615700    
 H   -3.660100      -1.324500      -1.152400    
 H   -4.392500     -0.6878000      0.3594000    
 H   -4.019000      0.4307000     -0.9958000    
 H   -1.711400      -2.295500      0.1289000    
 H  -0.9445000      -1.273900       1.411800    
 H   -2.645700      -1.762500       1.558700    
 H   0.6255000      -1.768900     -0.7054000    
 H  -0.2222000       2.435900     -0.3243000    
 H    2.081900       2.829700      0.4625000    
 H    3.668100      0.9530000      0.6701000    


%chk=000051301-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000051301

1 1
Br 3.579395 -2.006716 0.118692
N -2.366365 -0.255489 0.138941
C -1.321994 0.066627 -1.002141
C -2.460039 0.910200 1.118735
C -3.726262 -0.472529 -0.523000
C -1.965021 -1.518564 0.895006
C 0.088078 0.318823 -0.523448
C 1.006874 -0.760630 -0.426506
C 0.528356 1.637016 -0.231382
C 2.331533 -0.515321 -0.009980
C 1.859305 1.866355 0.178537
C 2.769922 0.791562 0.298102
H -1.740783 0.947662 -1.517707
H -1.376461 -0.802201 -1.680246
H -2.768299 1.815543 0.573214
H -3.206811 0.667338 1.889987
H -1.475986 1.070909 1.581142
H -3.655238 -1.313074 -1.230089
H -4.473386 -0.702738 0.251968
H -4.018447 0.442468 -1.060554
H -1.910234 -2.360477 0.187739
H -0.983897 -1.362422 1.365057
H -2.724480 -1.726725 1.664031
H 0.703850 -1.778183 -0.697045
H -0.154612 2.486901 -0.348897
H 2.200105 2.883543 0.394049
H 3.802497 0.970121 0.610295


