%chk=000041826.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000041826

0 1
 Br   6.200400      -2.598500     -0.3207000    
 O    1.127400       2.240200      0.5412000    
 O   -4.946300      0.1678000     -0.5850000    
 N    2.389900     -0.9256000     -0.1030000    
 N   -3.163300      -1.240700      4.4199999E-02
 C   0.2532000      1.1300000E-02  0.6632000    
 C    1.587300     -0.5320000       1.055500    
 C   8.1400000E-02   1.374900      0.4244000    
 C  -0.8286000     -0.8604000      0.5374000    
 C   -2.082000     -0.3685000      0.1728000    
 C   -1.172100       1.866600      5.9700001E-02
 C    3.675500      -1.458400      0.3191000    
 C   -2.253700      0.9949000     -6.6000000E-02
 C    4.505200      -1.830000     -0.8956000    
 C    1.491000       2.978100     -0.6238000    
 C    2.973200       3.281400     -0.5726000    
 C   -4.483700     -0.9351000     -0.3121000    
 C   -5.354700      -2.166000     -0.3388000    
 H    2.125900      0.2067000       1.663200    
 H    1.436600      -1.398600       1.713300    
 H  -0.6946000      -1.924200      0.7213000    
 H    2.540100     -0.1144000     -0.7031000    
 H   -1.322200       2.927600     -0.1211000    
 H    3.523600      -2.345700      0.9464000    
 H    4.217100     -0.7184000      0.9219000    
 H   -3.192600       1.449700     -0.3494000    
 H   -2.957200      -2.219200      0.2349000    
 H    4.750600     -0.9602000      -1.512200    
 H    4.017000      -2.589200      -1.513700    
 H   0.9205000       3.912900     -0.6457000    
 H    1.271500       2.407500      -1.534900    
 H    3.285100       3.857600      -1.448100    
 H    3.219800       3.849200      0.3307000    
 H    3.555000       2.354400     -0.5339000    
 H   -4.979900      -2.867500      -1.089500    
 H   -6.381400      -1.888200     -0.5929000    
 H   -5.350400      -2.645300      0.6442000    


%chk=000041826-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000041826

0 1
Br 6.353331 -2.935591 -0.322466
O 1.466051 1.852427 -0.063815
O -4.949084 0.126492 -0.798108
N 2.623997 -0.871159 -0.022387
N -3.271391 -1.248812 0.100726
C 0.291561 -0.162880 0.489653
C 1.595088 -0.718895 1.039781
C 0.237918 1.154723 -0.051446
C -0.895261 -0.916622 0.516976
C -2.126802 -0.399349 0.029926
C -0.979627 1.681751 -0.536356
C 3.903631 -1.461541 0.419191
C -2.163773 0.914265 -0.497379
C 4.547241 -2.118334 -0.809693
C 1.460725 3.251814 -0.537747
C 2.887010 3.776379 -0.395970
C -4.581021 -0.978025 -0.296382
C -5.562917 -2.129507 -0.084046
H 1.948773 -0.053349 1.865083
H 1.408779 -1.715908 1.481029
H -0.856966 -1.936354 0.923656
H 2.753684 0.024412 -0.512736
H -1.028334 2.692506 -0.951096
H 3.696355 -2.238452 1.177697
H 4.611099 -0.735950 0.882273
H -3.107383 1.315960 -0.869866
H -3.100950 -2.178144 0.490416
H 4.773936 -1.395982 -1.609248
H 3.936177 -2.945643 -1.196631
H 0.750779 3.841643 0.076986
H 1.123656 3.280408 -1.594066
H 2.937705 4.827890 -0.731968
H 3.217529 3.729761 0.655633
H 3.587437 3.183002 -1.008826
H -5.988754 -2.421632 -1.059684
H -6.398888 -1.774871 0.542898
H -5.116712 -3.021735 0.389292


