%chk=000052139.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000052139

1 1
 Br  -7.056200       2.138500      0.2502000    
 N   -3.938700     -0.7480000     -3.4000000E-03
 C   -2.792700      0.1910000     -1.8200001E-02
 C   -1.470600     -0.5686000     -1.3600000E-02
 C   -5.217800     -4.3600000E-02  0.4723000    
 C  -0.2433000      0.3476000      2.4100000E-02
 C   -4.201700      -1.313100      -1.407000    
 C   -3.667100      -1.928400      0.9408000    
 C    1.082700     -0.4164000      0.1055000    
 C    2.314100      0.4918000      7.0600003E-02
 C    3.607500     -0.3283000      7.8500003E-02
 C   -5.486900       1.174100     -0.3845000    
 C    4.838100      0.5784000      4.4999998E-03
 C    6.162900     -0.1890000      4.0500000E-02
 C    7.390700      0.7106000     -0.1075000    
 C    8.679000     -9.6500002E-02 -5.2800000E-02
 H   -2.851600      0.8171000      0.8807000    
 H   -2.856000      0.8345000     -0.9028000    
 H   -1.374000      -1.202200      0.8737000    
 H   -1.392200      -1.217100     -0.8936000    
 H   -6.042000     -0.7657000      0.4251000    
 H   -5.062700      0.2332000       1.522500    
 H  -0.2429000      0.9787000     -0.8731000    
 H  -0.3191000       1.022200      0.8859000    
 H   -5.136300      -1.881400      -1.384300    
 H   -3.375300      -1.976400      -1.677300    
 H   -4.257900     -0.4939000      -2.127800    
 H   -2.921900      -2.598300      0.5029000    
 H   -4.602600      -2.487100       1.053300    
 H   -3.358500      -1.535100       1.914200    
 H    1.099100      -1.014100       1.025200    
 H    1.134500      -1.123500     -0.7319000    
 H    2.296100       1.167700      0.9338000    
 H    2.281300       1.115800     -0.8307000    
 H    3.613400      -1.020300     -0.7722000    
 H    3.652800     -0.9354000      0.9907000    
 H   -5.716800      0.9303000      -1.423800    
 H   -4.690200       1.920200     -0.3516000    
 H    4.792400       1.170400     -0.9181000    
 H    4.816500       1.290600      0.8386000    
 H    6.165800     -0.9350000     -0.7641000    
 H    6.228800     -0.7431000      0.9851000    
 H    7.342200       1.251200      -1.059700    
 H    7.399500       1.460200      0.6922000    
 H    8.713500     -0.8356000     -0.8596000    
 H    9.544700      0.5645000     -0.1605000    
 H    8.771200     -0.6243000      0.9017000    


%chk=000052139-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000052139

1 1
Br -7.111597 2.295415 0.059019
N -4.065730 -0.788229 0.048834
C -2.749133 0.036420 0.156988
C -1.441956 -0.763129 0.049568
C -5.283388 0.131166 0.366479
C -0.228566 0.206360 0.076230
C -4.212937 -1.394397 -1.344059
C -4.077240 -1.910903 1.085732
C 1.121348 -0.545443 0.017851
C 2.338545 0.406969 0.031089
C 3.689877 -0.342003 -0.014541
C -5.455939 1.338936 -0.562892
C 4.910090 0.606349 -0.006414
C 6.262190 -0.141152 -0.046584
C 7.482958 0.807236 -0.039384
C 8.829835 0.053788 -0.079085
H -2.805147 0.560884 1.128342
H -2.796146 0.789085 -0.648843
H -1.337516 -1.474154 0.890090
H -1.402311 -1.345037 -0.891364
H -6.178521 -0.512821 0.317866
H -5.153940 0.468938 1.409067
H -0.292782 0.909188 -0.779490
H -0.262271 0.822510 0.998053
H -5.205382 -1.864297 -1.426204
H -3.432564 -2.153775 -1.493390
H -4.105922 -0.606734 -2.103742
H -3.283795 -2.633700 0.852013
H -5.055986 -2.414319 1.054951
H -3.909143 -1.481232 2.085031
H 1.193730 -1.241847 0.878726
H 1.157548 -1.171390 -0.897782
H 2.302875 1.039703 0.942177
H 2.275694 1.099656 -0.833759
H 3.728197 -0.978512 -0.923142
H 3.757769 -1.031744 0.852520
H -5.649016 1.070368 -1.611423
H -4.647235 2.079057 -0.488439
H 4.847437 1.294536 -0.875260
H 4.873364 1.245832 0.900278
H 6.303276 -0.781212 -0.952785
H 6.329450 -0.828522 0.822645
H 7.416775 1.493703 -0.908138
H 7.442644 1.446878 0.865906
H 8.910314 -0.569337 -0.989687
H 9.684597 0.754207 -0.074080
H 8.937450 -0.615097 0.795530


