%chk=000025578.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000025578

0 1
 Br  -4.959300      0.8741000      -1.358000    
 N   -1.186600       1.265000      0.3907000    
 C  -0.3751000      0.5391000     -0.5788000    
 C    1.099200      0.9075000     -0.4867000    
 C  -0.3310000     -0.9550000     -0.2893000    
 C    1.876900     -0.2332000     -0.1838000    
 C   0.9988000      -1.376500     -6.2700003E-02
 C   -2.602800      0.9290000      0.2322000    
 C  -0.7452000      0.9715000       1.755300    
 C    1.683200       2.154900     -0.6413000    
 C   -1.389600      -1.846500     -0.2174000    
 C    3.251700     -0.1331000     -4.5100000E-02
 C    1.278900      -2.702100      0.2269000    
 C   -3.060400       1.267700      -1.174200    
 C   -1.560400       1.748500       2.775100    
 C    3.068600       2.255100     -0.5018000    
 C   -1.106800      -3.182100      7.4000001E-02
 C    3.845300       1.122000     -0.2079000    
 C   0.2146000      -3.606000      0.2928000    
 H  -0.6432000      0.7124000      -1.625400    
 H   -3.182100       1.612800      0.8675000    
 H   -2.907100     -5.4099999E-02  0.5903000    
 H  -0.8156000     -8.7499999E-02   2.028900    
 H   0.2953000       1.280700       1.905700    
 H    1.086600       3.031900     -0.8678000    
 H   -2.407400      -1.592600     -0.4768000    
 H    3.864500     -0.9979000      0.1863000    
 H    2.293600      -3.044000      0.4017000    
 H   -2.935100       2.326700      -1.418000    
 H   -2.615300      0.6504000      -1.956100    
 H   -1.636400       2.809000       2.511200    
 H   -2.567200       1.340200       2.907600    
 H   -1.071200       1.692600       3.754200    
 H    3.553500       3.220300     -0.6208000    
 H   -1.914200      -3.908800      0.1102000    
 H    4.922300       1.224600     -0.1032000    
 H   0.4109000      -4.652000      0.5133000    


%chk=000025578-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000025578

0 1
Br -5.076164 2.357408 -1.271144
N -1.349614 0.922260 0.308341
C -0.399773 0.142398 -0.517983
C 1.043400 0.662694 -0.478217
C -0.205740 -1.352304 -0.165808
C 1.954912 -0.401706 -0.221670
C 1.182634 -1.647225 -0.021908
C -2.762114 0.908134 -0.124837
C -1.108416 0.885119 1.772052
C 1.502353 1.974039 -0.675195
C -1.170062 -2.361295 -0.001910
C 3.344826 -0.156699 -0.180567
C 1.611335 -2.958721 0.275666
C -3.120088 2.303326 -0.665141
C -1.641161 2.130153 2.504980
C 2.897773 2.223308 -0.627633
C -0.741703 -3.677868 0.307934
C 3.809184 1.164216 -0.387496
C 0.637788 -3.972606 0.440783
H -0.767228 0.212227 -1.563410
H -3.436077 0.646173 0.714460
H -2.935226 0.157242 -0.918708
H -1.549005 -0.032224 2.229692
H -0.014910 0.822852 1.919741
H 0.790715 2.788693 -0.849125
H -2.239347 -2.145668 -0.107860
H 4.056364 -0.967874 0.010773
H 2.676422 -3.194600 0.379950
H -3.034755 3.085898 0.101827
H -2.535702 2.567777 -1.559262
H -1.175176 3.046522 2.101015
H -2.738901 2.226275 2.413044
H -1.405597 2.063153 3.583115
H 3.276618 3.240543 -0.777243
H -1.482022 -4.474408 0.442555
H 4.884511 1.373349 -0.357153
H 0.951847 -4.995960 0.675144


