%chk=000048817.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000048817

0 1
 Br -0.3655000      -2.883200     -0.3976000    
 N   -2.694900      7.6099999E-02 -0.1754000    
 C  -0.3421000     -6.1500002E-02  0.4530000    
 C    1.498600     -0.8178000      -1.128900    
 C    1.342000       1.614700     -0.4737000    
 C    2.081100     -9.2100002E-02   1.219700    
 C   1.8200001E-02 -0.9913000     -0.7345000    
 C  -0.1189000       1.398600     -3.9900001E-02
 C   0.6177000     -0.3051000       1.645200    
 C    1.693000      0.6349000      -1.607200    
 C    2.430600      -1.057000      7.6700002E-02
 C    2.262700       1.352700      0.7280000    
 C   -1.802700     -0.2042000      0.9043000    
 C   -2.516300       1.447300     -0.6881000    
 C   -4.103500     -0.1122000      0.2182000    
 H    1.768200      -1.504400      -1.940100    
 H    1.484600       2.645400     -0.8204000    
 H    2.743400     -0.2750000       2.073300    
 H  -0.6054000     -0.7688000      -1.608900    
 H  -0.3517000       2.132000      0.7419000    
 H  -0.5184000       1.683400     -0.9952000    
 H   0.4928000      -1.317800       2.046500    
 H   0.3768000      0.3814000       2.467600    
 H    1.066100      0.8288000      -2.486200    
 H    2.732400      0.7878000      -1.923400    
 H    3.474200     -0.9075000     -0.2285000    
 H    2.360700      -2.092600      0.4272000    
 H    3.308300       1.523700      0.4438000    
 H    2.034500       2.056700       1.537700    
 H   -1.991000      0.4723000       1.750900    
 H   -1.976100      -1.212500       1.298400    
 H   -3.513600       1.815700     -0.9881000    
 H   -2.072600       1.449300      -1.689400    
 H   -2.264200       2.223800      3.9600000E-02
 H   -4.260400      -1.130900      0.5904000    
 H   -4.767300      6.5000001E-03 -0.6456000    
 H   -4.408800      0.5919000       1.000900    


%chk=000048817-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000048817

0 1
Br -0.626476 -2.826678 0.028845
N -2.733370 0.491814 -0.172547
C -0.279623 0.163500 0.466168
C 1.451805 -0.996531 -1.022034
C 1.604203 1.510573 -0.660401
C 2.145779 -0.077574 1.238720
C -0.031914 -0.923082 -0.605836
C 0.119693 1.516872 -0.221985
C 0.658143 -0.061317 1.687158
C 1.814617 0.368459 -1.686868
C 2.366038 -1.220574 0.212013
C 2.509485 1.280505 0.580145
C -1.765651 0.232159 0.925458
C -3.327579 1.843126 -0.145077
C -3.760582 -0.557713 -0.344943
H 1.586926 -1.814420 -1.753603
H 1.852650 2.482956 -1.130173
H 2.790471 -0.246954 2.123487
H -0.712156 -0.776114 -1.461946
H -0.061117 2.337078 0.503457
H -0.543688 1.686866 -1.091535
H 0.400650 -1.015447 2.187195
H 0.495564 0.751895 2.424170
H 1.187031 0.539475 -2.584038
H 2.869343 0.334173 -2.023740
H 3.424175 -1.239253 -0.116259
H 2.145834 -2.201996 0.671075
H 3.576400 1.283153 0.279232
H 2.372016 2.106687 1.306750
H -1.838711 1.027621 1.701164
H -2.017866 -0.721909 1.428448
H -3.912129 2.011055 -1.068286
H -2.536620 2.610710 -0.100816
H -4.011660 2.005560 0.727063
H -3.277866 -1.545591 -0.426881
H -4.324257 -0.372846 -1.278306
H -4.497059 -0.597138 0.496926


