%chk=000038392.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000038392

0 1
 Br   6.191900      -3.236900      -1.094200    
 Br   4.772400       4.141200       1.364200    
 O   -4.335700       2.179100      -1.810800    
 O   -2.630500       2.349900     -0.3176000    
 N    4.127700      0.2315000      1.5200000E-02
 N   -1.383100     -0.6776000     -0.3969000    
 N   -1.972300     -0.1853000      0.5930000    
 C    2.740400     -1.8000000E-03 -8.5699998E-02
 C    5.056700     -0.8797000      6.8000004E-02
 C    4.641300       1.585200      8.1699997E-02
 C    2.186600      -1.162400      0.4550000    
 C   0.8144000      -1.392600      0.3548000    
 C    1.921800      0.9284000     -0.7266000    
 C   1.1000000E-03 -0.4614000     -0.2855000    
 C    4.950700      -1.736000      -1.179200    
 C    4.089500       2.316800       1.290100    
 C   0.5497000      0.6982000     -0.8265000    
 C   0.2442000      -2.643200      0.9398000    
 C   -3.352000     -0.4003000      0.4821000    
 C   -4.172700      0.5276000     -0.1591000    
 C   -3.903100      -1.561600       1.023900    
 C   -5.544300      0.2941000     -0.2587000    
 C   -5.274700      -1.795100      0.9241000    
 C   -6.095300     -0.8672000      0.2829000    
 C   -3.624600       1.749100     -0.7339000    
 H    4.904800      -1.472600      0.9781000    
 H    6.088700     -0.5145000      0.1512000    
 H    5.737000       1.578800      0.1486000    
 H    4.429100       2.128000     -0.8476000    
 H    2.797700      -1.892600      0.9769000    
 H    2.313200       1.834700      -1.177900    
 H    5.212300      -1.170700      -2.079000    
 H    3.967100      -2.187200      -1.326000    
 H    4.393000       1.836000       2.225200    
 H    3.002100       2.418600       1.288200    
 H  -7.8000002E-02   1.425300      -1.334500    
 H    1.028300      -3.342800       1.249600    
 H  -0.3603000      -2.408800       1.822000    
 H  -0.3772000      -3.166800      0.2055000    
 H   -3.273000      -2.290900       1.526600    
 H   -6.212600       1.003300     -0.7401000    
 H   -5.703900      -2.698900       1.346600    
 H   -7.163600      -1.048000      0.2083000    
 H   -3.959800       3.001200      -2.192000    


%chk=000038392-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000038392

0 1
Br 6.344156 -1.891257 -2.694332
Br 5.841528 2.819825 3.246974
O -3.581815 -2.582822 -1.422270
O -2.957969 -0.593898 -2.444750
N 4.114537 0.295060 0.242735
N -1.534156 -0.330414 0.144515
N -2.275710 0.580151 0.727583
C 2.713307 0.161912 0.226891
C 4.993858 -0.720149 -0.369345
C 4.774007 1.451874 0.880301
C 2.081286 -0.931082 -0.444861
C 0.682780 -1.088412 -0.471440
C 1.872647 1.120099 0.884766
C -0.135404 -0.119309 0.194758
C 5.156591 -0.461782 -1.880603
C 4.952680 1.208948 2.392196
C 0.483957 0.977837 0.860238
C 0.054299 -2.243873 -1.225248
C -3.674847 0.335775 0.601665
C -4.267996 -0.548803 -0.355040
C -4.503076 1.027923 1.523342
C -5.664967 -0.762023 -0.316879
C -5.896002 0.819192 1.537707
C -6.479244 -0.087042 0.621627
C -3.493284 -1.178872 -1.474527
H 4.599971 -1.736381 -0.194984
H 5.984232 -0.677882 0.116848
H 5.763647 1.603095 0.414846
H 4.199313 2.377628 0.706214
H 2.682025 -1.678232 -0.972256
H 2.303332 1.971664 1.418872
H 5.659823 0.493854 -2.091859
H 4.203736 -0.523112 -2.425945
H 5.618226 0.358713 2.605143
H 3.994063 1.086909 2.917072
H -0.161076 1.706254 1.361233
H 0.822161 -2.947879 -1.589175
H -0.663086 -2.788930 -0.587820
H -0.517939 -1.864198 -2.091949
H -4.018692 1.707236 2.231800
H -6.118350 -1.451895 -1.036385
H -6.522239 1.352899 2.260312
H -7.560238 -0.261707 0.627847
H -3.125071 -2.954795 -2.226017


