%chk=000013249.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000013249

0 1
 Br  -3.616900      -2.570400      2.2900000E-02
 N    3.240200     -0.3900000      7.4000001E-02
 N  -8.3899997E-02   2.292800     -2.9300001E-02
 C   0.9608000      0.3749000     -0.4257000    
 C  -0.4195000      9.5600002E-02 -0.2214000    
 C    2.023000     -0.6088000     -0.7194000    
 C   -1.052400       1.315800      2.5400000E-02
 C    1.135900       1.733900     -0.3014000    
 C   -1.193600      -1.081800     -0.2227000    
 C   -2.426100       1.417900      0.2720000    
 C    4.247900      -1.391700     -0.2620000    
 C    2.926900     -0.4300000       1.499500    
 C   -2.568900     -0.9949000      2.2399999E-02
 C   -3.173500      0.2367000      0.2657000    
 H    1.651700      -1.630200     -0.5649000    
 H    2.269700     -0.5248000      -1.786200    
 H    2.015300       2.357600     -0.3839000    
 H  -0.2503000       3.279700      0.1108000    
 H  -0.7246000      -2.043500     -0.4127000    
 H   -2.897600       2.376300      0.4615000    
 H    5.176200      -1.203500      0.2889000    
 H    4.502100      -1.341700      -1.326700    
 H    3.914400      -2.410800     -3.4600001E-02
 H    3.847100     -0.3406000       2.089600    
 H    2.437700      -1.367300       1.790900    
 H    2.298600      0.4055000       1.822400    
 H   -4.242800      0.2993000      0.4558000    


%chk=000013249-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000013249

0 1
Br -3.918772 -2.492607 -0.133762
N 3.260590 -0.438853 0.119226
N -0.108249 2.299772 0.010680
C 0.902083 0.266759 -0.272648
C -0.531610 0.064205 -0.175153
C 1.959267 -0.786385 -0.505695
C -1.142459 1.358577 0.003158
C 1.118643 1.639562 -0.157576
C -1.358501 -1.091799 -0.218658
C -2.537959 1.521704 0.136356
C 4.373695 -1.235616 -0.434022
C 3.216484 -0.505778 1.595295
C -2.742489 -0.909490 -0.082320
C -3.345655 0.366931 0.092426
H 1.577720 -1.779218 -0.147310
H 2.139041 -0.901852 -1.593737
H 2.065184 2.175121 -0.174168
H -0.223752 3.303155 0.132259
H -0.933588 -2.090329 -0.354584
H -2.996658 2.507186 0.270567
H 5.327885 -0.889937 0.002681
H 4.427201 -1.095033 -1.528554
H 4.282556 -2.333130 -0.229032
H 4.169014 -0.133441 2.013015
H 3.049996 -1.544594 1.979060
H 2.399244 0.131886 1.972008
H -4.431512 0.449203 0.191387


