%chk=000038268.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000038268

0 1
 Br  -2.146400      -3.342500      -2.969800    
 N  -0.5971000     -5.8200002E-02 -0.9066000    
 C   0.8310000     -0.2865000      -1.091000    
 C    1.649000      0.9795000     -0.8768000    
 C    1.410300      -1.203800     -2.2800000E-02
 C    2.572600      0.8001000      0.1780000    
 C    2.426000     -0.5403000      0.7021000    
 C  -0.8722000      0.4179000      0.4502000    
 C   -1.354000      -1.281600      -1.178200    
 C    1.557000       2.185300      -1.553900    
 C    1.044200      -2.505600      0.2805000    
 C    3.421700       1.827900      0.5545000    
 C    3.092600      -1.183800       1.732200    
 C   -2.341200      0.6630000      0.6715000    
 C   -1.089400      -1.749300      -2.597100    
 C    2.413100       3.220600      -1.174300    
 C    1.716400      -3.153600       1.318400    
 C    3.337200       3.043200     -0.1312000    
 C    2.731500      -2.499500       2.036300    
 C   -2.873500       1.915300      0.3989000    
 C   -3.142200     -0.3666000       1.145300    
 C   -4.234400       2.142600      0.6039000    
 C   -4.503100     -0.1394000       1.350200    
 C   -5.049300       1.115200       1.079600    
 H    1.115900     -0.6401000      -2.086400    
 H  -0.3601000       1.365800      0.6583000    
 H  -0.5434000     -0.2742000       1.236200    
 H   -2.420300      -1.024000      -1.206000    
 H   -1.294400      -2.068000     -0.4270000    
 H   0.8443000       2.326100      -2.359200    
 H   0.3454000      -3.085400     -0.3051000    
 H    4.137400       1.707900       1.361100    
 H    3.876100     -0.6909000       2.298200    
 H  -7.0400000E-02  -2.095600      -2.776800    
 H   -1.368200      -1.005100      -3.349000    
 H    2.364700       4.175900      -1.690000    
 H    1.469100      -4.183900       1.560600    
 H    3.993100       3.864000      0.1474000    
 H    3.244200      -3.026000       2.837000    
 H   -2.248800       2.721900      2.5699999E-02
 H   -2.730700      -1.344500       1.378200    
 H   -4.659800       3.119200      0.3927000    
 H   -5.136800     -0.9382000       1.724300    
 H   -6.108700       1.292400       1.239900    


%chk=000038268-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000038268

0 1
Br -2.697694 -2.371479 -3.882533
N -0.563637 -0.522209 -0.656018
C 0.911048 -0.554082 -0.793709
C 1.582389 0.818102 -0.645631
C 1.703038 -1.404865 0.227765
C 2.659966 0.753427 0.283951
C 2.731374 -0.619505 0.829026
C -1.072302 -0.174339 0.692774
C -1.312596 -1.558505 -1.399652
C 1.269903 2.017921 -1.303396
C 1.537496 -2.754355 0.584495
C 3.442516 1.897566 0.551666
C 3.604764 -1.185789 1.782182
C -2.473176 0.428945 0.666467
C -1.759719 -0.958011 -2.742567
C 2.051654 3.169775 -1.032581
C 2.407905 -3.322601 1.550171
C 3.130139 3.106461 -0.114743
C 3.434552 -2.544470 2.139823
C -2.764961 1.540512 -0.166019
C -3.496046 -0.086452 1.499204
C -4.049301 2.125437 -0.161525
C -4.785168 0.496754 1.506850
C -5.065420 1.604772 0.676198
H 1.118053 -0.940554 -1.813527
H -0.364448 0.565404 1.114974
H -1.062525 -1.052100 1.379877
H -2.203775 -1.864268 -0.823629
H -0.710437 -2.471706 -1.580290
H 0.432229 2.061584 -2.008825
H 0.752308 -3.369044 0.130370
H 4.276122 1.858600 1.261801
H 4.401914 -0.590327 2.241376
H -0.911623 -0.617241 -3.356171
H -2.496327 -0.153895 -2.605854
H 1.822543 4.116237 -1.534852
H 2.288823 -4.372663 1.839623
H 3.725336 4.005265 0.082142
H 4.101628 -3.000749 2.879804
H -1.973961 1.937268 -0.813001
H -3.282951 -0.946658 2.146450
H -4.260530 2.986572 -0.805953
H -5.567174 0.085444 2.155110
H -6.063529 2.057020 0.678377


