%chk=000094759.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000094759

0 1
 Br   3.420700      -2.926400     -0.1302000    
 O    5.054600     -7.9999998E-02  -1.199000    
 N    3.831400      0.3647000      0.7266000    
 C   -1.500500      0.4391000      0.4237000    
 C  -0.3667000       1.124600     -0.3423000    
 C   -2.832100      0.4403000     -0.3345000    
 C   0.9612000       1.133600      0.4227000    
 C   -4.013200     -0.2116000      0.3914000    
 C   -5.327400     -0.1315000     -0.3877000    
 C    2.115300       1.749600     -0.3752000    
 C   -6.486400     -0.7163000      0.4209000    
 C    3.437200       1.704300      0.3859000    
 C   -7.790000     -0.6696000     -0.3603000    
 C    4.616200     -0.4256000     -0.1033000    
 C    4.879800      -1.795300      0.4612000    
 H   -1.215800     -0.5970000      0.6438000    
 H   -1.638700      0.9415000       1.389000    
 H  -0.2254000      0.6139000      -1.302800    
 H  -0.6552000       2.157700     -0.5719000    
 H   -3.097200       1.479300     -0.5689000    
 H   -2.689800     -6.6399999E-02  -1.297400    
 H   0.8333000       1.685600       1.361900    
 H    1.207300      0.1000000      0.6932000    
 H   -3.772800      -1.262300      0.5952000    
 H   -4.140000      0.2780000       1.364900    
 H   -5.223100     -0.6731000      -1.335600    
 H   -5.545300      0.9144000     -0.6351000    
 H    1.876500       2.791400     -0.6191000    
 H    2.222800       1.212200      -1.325500    
 H   -6.607000     -0.1583000       1.356700    
 H   -6.266000      -1.756200      0.6888000    
 H    4.224800       2.168900     -0.2174000    
 H    3.356100       2.267100       1.322000    
 H   -7.713000      -1.247200      -1.287000    
 H   -8.604700      -1.091600      0.2364000    
 H   -8.055900      0.3605000     -0.6183000    
 H    3.507700     -1.4700000E-02   1.611600    
 H    4.895100      -1.801300       1.553100    
 H    5.812600      -2.203700      6.6900000E-02


%chk=000094759-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000094759

0 1
Br 4.385358 -2.686974 1.834376
O 5.593160 0.284575 -0.924761
N 3.918411 0.261826 0.709512
C -1.615473 0.403861 0.381067
C -0.435665 1.065768 -0.365460
C -2.957474 0.511741 -0.377405
C 0.901115 0.978101 0.405172
C -4.134832 -0.160266 0.364543
C -5.481191 -0.039624 -0.384198
C 2.080308 1.622069 -0.357917
C -6.656984 -0.715513 0.357693
C 3.414549 1.618717 0.423961
C -7.999465 -0.585938 -0.393915
C 4.952820 -0.295757 0.009761
C 5.409958 -1.716095 0.354716
H -1.381301 -0.666467 0.560528
H -1.723449 0.870051 1.383042
H -0.316332 0.588077 -1.360224
H -0.675771 2.132065 -0.559997
H -3.195990 1.582413 -0.549101
H -2.848732 0.053395 -1.382750
H 0.786173 1.474088 1.392697
H 1.125706 -0.089349 0.611249
H -3.900960 -1.233483 0.526586
H -4.236296 0.290548 1.374253
H -5.381702 -0.487759 -1.395213
H -5.718433 1.033384 -0.543088
H 1.831255 2.676862 -0.593850
H 2.231057 1.106679 -1.326513
H -6.753111 -0.269630 1.368937
H -6.420892 -1.788204 0.513124
H 4.198978 2.130844 -0.159857
H 3.289592 2.154961 1.384896
H -7.939174 -1.051857 -1.395794
H -8.822839 -1.076258 0.157522
H -8.273273 0.476749 -0.535697
H 3.466377 -0.301132 1.434992
H 6.456289 -1.694634 0.693914
H 5.314633 -2.359232 -0.532401


