%chk=000128331.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000128331

0 1
 Br  0.2151000      -1.514000       2.249000    
 Br   1.485000       1.334800      -2.605400    
 N  -0.3418000      4.0600002E-02 -0.4135000    
 N  -0.4359000       2.054600      0.7455000    
 N   -2.359400       1.306600     -0.1982000    
 C   -2.096500      -1.640400     -0.3318000    
 C   -2.884900      -2.774800     -0.9047000    
 C   -1.913600      -3.021600      0.2122000    
 C   -1.002600      -1.035900      -1.149500    
 C   -1.081600       1.101900      1.5900001E-02
 C    1.041600     -0.1103000     -0.1402000    
 C   -1.341000       3.096600       1.123900    
 C   -2.646500       2.603000      0.4873000    
 C    1.454100     -0.7807000       1.010000    
 C    1.985700      0.4121000      -1.022600    
 C    2.814800     -0.9292000       1.278800    
 C    3.346400      0.2637000     -0.7536000    
 C    3.760800     -0.4071000      0.3970000    
 H   -2.664700     -0.9592000      0.2841000    
 H   -2.624600      -3.144500      -1.888900    
 H   -3.942100      -2.823600     -0.6740000    
 H   -2.330700      -3.249100       1.186000    
 H   -1.014600      -3.575500     -2.8999999E-02
 H   -1.434600     -0.6181000      -2.068200    
 H  -0.2826000      -1.798100      -1.476300    
 H   0.5415000       2.062100       1.008100    
 H   -1.033900       4.063000      0.7137000    
 H   -1.429000       3.175100       2.211300    
 H   -3.419700       2.449500       1.247500    
 H   -3.023700       3.325600     -0.2441000    
 H    3.157600      -1.448600       2.170000    
 H    4.099000      0.6636000      -1.428400    
 H    4.820300     -0.5227000      0.6063000    


%chk=000128331-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000128331

0 1
Br -0.004518 -0.612638 2.631893
Br 1.423570 0.554583 -2.948598
N -0.497668 0.211117 -0.447414
N -0.389538 2.353318 0.704345
N -2.445847 1.512266 0.058996
C -2.036347 -1.786865 -0.405540
C -2.482065 -3.094233 -1.077547
C -1.343743 -3.106642 -0.042083
C -1.324370 -0.738138 -1.248500
C -1.136935 1.322955 0.109807
C 0.856233 -0.098263 -0.140430
C -1.334057 3.289781 1.351438
C -2.679235 2.871198 0.649655
C 1.290135 -0.477380 1.169403
C 1.873818 -0.057208 -1.144037
C 2.633115 -0.794082 1.460222
C 3.215779 -0.397712 -0.883331
C 3.593781 -0.764237 0.426695
H -2.715388 -1.356266 0.336974
H -2.214841 -3.249079 -2.128845
H -3.450673 -3.516606 -0.796436
H -1.539972 -3.538177 0.943560
H -0.325506 -3.274706 -0.410210
H -2.070147 -0.126877 -1.786057
H -0.668256 -1.227016 -1.992137
H 0.585527 2.264364 0.984005
H -1.063506 4.342086 1.156451
H -1.376168 3.129078 2.449657
H -3.522969 2.837614 1.360136
H -2.941800 3.585418 -0.156111
H 2.917901 -1.080465 2.476321
H 3.956442 -0.355280 -1.686345
H 4.635148 -1.022509 0.642261


