%chk=000045227.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000045227

0 1
 Br   7.045700       2.187700     -0.3956000    
 O   0.9571000     -0.6746000     -5.5999998E-03
 O    2.154700      -2.550800      0.5820000    
 N   -3.850200     -0.2682000     -0.4554000    
 C   -3.816600      0.9876000      0.3185000    
 C   -4.925100       1.933600     -0.1818000    
 C   -5.147300     -0.9518000     -0.4013000    
 C   -6.304200       1.281400     -0.1594000    
 C   -6.273700     -4.8000000E-02 -0.9029000    
 C   -2.761600      -1.180400     -0.1162000    
 C   -3.884900      0.8187000       1.844300    
 C   -1.419600     -0.4619000     -0.2123000    
 C  -0.2616000      -1.395000      0.1151000    
 C    2.095300      -1.375100      0.2570000    
 C    3.293400     -0.5128000      9.7900003E-02
 C    4.483400      -1.089800     -0.2959000    
 C    3.180000      0.8393000      0.3498000    
 C    5.609100     -0.2795000     -0.4441000    
 C    4.305800       1.649500      0.2013000    
 C    5.520300       1.090100     -0.1955000    
 H   -2.899600       1.541500      8.9800000E-02
 H   -4.697100       2.239200      -1.212000    
 H   -4.943700       2.852500      0.4165000    
 H   -5.372800      -1.299500      0.6143000    
 H   -5.124000      -1.841800      -1.042300    
 H   -7.039900       1.949500     -0.6211000    
 H   -6.627600       1.120000      0.8754000    
 H   -7.236800     -0.5582000     -0.7886000    
 H   -6.139100      0.1402000      -1.975900    
 H   -2.891300      -1.610600      0.8846000    
 H   -2.758300      -2.018800     -0.8241000    
 H   -3.022000      0.2694000       2.232700    
 H   -3.883700       1.798900       2.334400    
 H   -4.789300      0.2945000       2.167000    
 H   -1.274800     -3.9099999E-02  -1.214800    
 H   -1.330600      0.3718000      0.4914000    
 H  -0.2539000      -2.241500     -0.5816000    
 H  -0.3621000      -1.774200       1.139000    
 H    4.564100      -2.154300     -0.4955000    
 H    2.249900       1.297000      0.6731000    
 H    6.547800     -0.7310000     -0.7548000    
 H    4.220700       2.714500      0.4019000    


%chk=000045227-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000045227

0 1
Br 7.437079 2.059998 -0.184814
O 1.026090 -0.603676 -0.098035
O 2.191592 -2.617200 0.057983
N -3.903678 -0.182798 -0.316894
C -4.005297 1.057585 0.515877
C -5.129829 1.959147 -0.058605
C -5.176485 -0.943358 -0.410764
C -6.483813 1.220832 -0.163714
C -6.307839 -0.071787 -0.991755
C -2.758098 -1.065861 0.001482
C -4.181864 0.803403 2.043138
C -1.390101 -0.359135 -0.127812
C -0.250687 -1.376223 -0.068880
C 2.196253 -1.363443 -0.029041
C 3.420999 -0.512543 -0.069637
C 4.682880 -1.155803 0.003990
C 3.357679 0.900239 -0.179027
C 5.873573 -0.402500 -0.029506
C 4.542145 1.665706 -0.214014
C 5.786167 1.002561 -0.138280
H -3.053284 1.606286 0.380599
H -4.823752 2.286774 -1.071254
H -5.225745 2.865028 0.570830
H -5.498966 -1.355164 0.580529
H -5.000307 -1.813296 -1.072449
H -7.240016 1.879870 -0.630951
H -6.864323 0.968410 0.846703
H -7.247955 -0.656333 -1.015044
H -6.050628 0.193657 -2.035655
H -2.835800 -1.526695 1.021004
H -2.792459 -1.906860 -0.720941
H -3.350137 0.199973 2.451731
H -4.191319 1.766594 2.585837
H -5.125378 0.277780 2.273707
H -1.357270 0.188409 -1.087575
H -1.246763 0.377526 0.684364
H -0.258047 -2.068851 -0.930822
H -0.271205 -1.981011 0.857421
H 4.714306 -2.246958 0.087038
H 2.382702 1.391199 -0.236920
H 6.847243 -0.896536 0.027963
H 4.498235 2.755052 -0.298507


