%chk=000028604.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000028604

0 1
 Br  -5.647800       2.318800     -0.1014000    
 N    5.045500      0.1582000     -0.1862000    
 N  -0.4885000     -0.1366000      0.6107000    
 N   -1.073800     -0.2709000     -0.4895000    
 C    3.651200      8.4200002E-02  1.4400000E-02
 C    2.882800       1.248400      8.9999996E-03
 C    3.040700      -1.153400      0.2182000    
 C   0.8937000     -6.2300000E-02  0.4114000    
 C    1.504100       1.175200      0.2076000    
 C    1.661900      -1.226600      0.4167000    
 C    5.785700       1.332000      0.2318000    
 C    5.758000     -0.9445000     -0.8004000    
 C   -2.462700     -0.3457000     -0.2888000    
 C   -3.225500      0.8180000     -0.2943000    
 C   -3.065000      -1.583800     -8.5900001E-02
 C   -4.604200      0.7430000     -9.5100001E-02
 C   -4.443300      -1.658700      0.1133000    
 C   -5.213000     -0.4955000      0.1086000    
 H    3.325000       2.226400     -0.1586000    
 H    3.610900      -2.077700      0.2406000    
 H   0.9134000       2.087600      0.1999000    
 H    1.195500      -2.195100      0.5781000    
 H    5.673100       2.141700     -0.4968000    
 H    6.856200       1.114300      0.3186000    
 H    5.455800       1.685200       1.215300    
 H    6.730800     -0.6199000      -1.186400    
 H    5.204000      -1.356200      -1.651600    
 H    5.942100      -1.741400     -7.2300002E-02
 H   -2.743400       1.779700     -0.4548000    
 H   -2.472900      -2.495000     -8.1600003E-02
 H   -4.917300      -2.622900      0.2718000    
 H   -6.286000     -0.5715000      0.2652000    


%chk=000028604-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000028604

0 1
Br -5.293186 -1.555785 2.748244
N 5.174709 0.151752 -0.151502
N -0.441857 -0.361385 0.464044
N -1.227800 0.039418 -0.511441
C 3.792984 0.035320 -0.023627
C 2.912334 0.472245 -1.075455
C 3.199751 -0.522466 1.158242
C 0.943887 -0.198161 0.229432
C 1.525937 0.357353 -0.950657
C 1.808401 -0.631931 1.272924
C 5.763246 0.724994 -1.371731
C 6.057135 -0.303353 0.933488
C -2.624782 -0.134202 -0.249238
C -3.154323 -0.683393 0.956561
C -3.503052 0.281944 -1.284002
C -4.543440 -0.797343 1.085028
C -4.898065 0.153070 -1.122102
C -5.438038 -0.389498 0.067992
H 3.325959 0.903228 -1.991416
H 3.827870 -0.868941 1.982729
H 0.859410 0.690259 -1.752488
H 1.352777 -1.056701 2.173812
H 5.497643 0.134705 -2.271120
H 6.860363 0.728540 -1.281099
H 5.431232 1.769530 -1.534735
H 7.106245 -0.124177 0.652307
H 5.936279 -1.387144 1.131169
H 5.858622 0.242251 1.877392
H -2.460852 -0.997180 1.741116
H -3.067687 0.699613 -2.197127
H -5.576072 0.473917 -1.919994
H -6.518630 -0.491481 0.200756


