%chk=000038782.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000038782

0 1
 Br   6.509900      0.7484000      0.1279000    
 O   -5.016700       1.189200      0.2369000    
 O   -4.533500      -1.006900     -0.1804000    
 N  -0.4514000      0.4913000      9.3500003E-02
 N   -1.531300      -1.415800     -0.2650000    
 N   -2.825800      0.5821000      0.1168000    
 C   0.5117000     -0.4582000     -8.8100001E-02
 C    1.925200     -0.1739000     -3.7599999E-02
 C   -1.663400     -0.1308000     -2.1500001E-02
 C  -0.1757000      -1.626100     -0.3071000    
 C    2.819200      -1.155500      0.3897000    
 C    2.397800       1.082900     -0.4156000    
 C    4.185800     -0.8804000      0.4389000    
 C    3.764400       1.358000     -0.3664000    
 C    4.658400      0.3763000      6.0899999E-02
 C   -4.160200      0.1395000      3.6300000E-02
 C   -6.414200      0.8801000      0.1809000    
 H  -0.3093000       1.473500      0.2890000    
 H   0.2248000      -2.611900     -0.4974000    
 H    2.476300      -2.141000      0.6954000    
 H    1.727900       1.865300     -0.7635000    
 H    4.869000      -1.655900      0.7757000    
 H    4.116800       2.341400     -0.6667000    
 H   -2.707900       1.575000      0.3047000    
 H   -6.676800      0.4935000     -0.8085000    
 H   -6.973200       1.802900      0.3569000    
 H   -6.673500      0.1580000      0.9610000    


%chk=000038782-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000038782

0 1
Br 6.016358 1.199247 1.385614
O -5.053723 0.567621 -0.082518
O -2.951355 1.329040 0.665171
N -0.823670 -0.159118 -0.223362
N -1.362599 -1.920416 -1.551697
N -3.188004 -0.551113 -0.725746
C 0.398814 -0.780696 -0.558014
C 1.702806 -0.304971 -0.095571
C -1.830708 -0.876128 -0.837609
C 0.025737 -1.862289 -1.377820
C 2.883634 -1.040998 -0.401443
C 1.842774 0.891791 0.663944
C 4.151716 -0.605151 0.027763
C 3.106593 1.338979 1.102896
C 4.252521 0.585158 0.779788
C -3.665960 0.517625 0.008474
C -5.693341 1.673658 0.666450
H -1.011596 0.658751 0.364362
H 0.668248 -2.595670 -1.858429
H 2.812407 -1.968594 -0.978441
H 0.967054 1.499548 0.918581
H 5.046306 -1.184826 -0.216786
H 3.193311 2.260834 1.684758
H -3.844019 -1.154855 -1.225079
H -5.470257 1.585177 1.742632
H -6.767937 1.551951 0.473813
H -5.330810 2.646444 0.294969


