%chk=000052137.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000052137

1 1
 Br  0.2881000       2.704800     -0.2096000    
 N   -2.073300     -0.2117000      0.1121000    
 C   -1.045300     -8.9400001E-02  -1.003600    
 C   -3.473900     -0.1282000     -0.4772000    
 C   -1.898700      -1.548600      0.8181000    
 C   -1.875000      0.9193000       1.111000    
 C   0.3695000     -0.1616000     -0.5098000    
 C    1.071100      0.9792000     -0.1302000    
 C   0.9721000      -1.414800     -0.4403000    
 C    2.385600      0.8660000      0.3228000    
 C    2.286600      -1.527700      1.2600000E-02
 C    2.993300     -0.3874000      0.3940000    
 H   -1.256400      0.8294000      -1.561900    
 H   -1.241200     -0.9085000      -1.709400    
 H   -3.602900     -0.9562000      -1.180500    
 H   -4.199900     -0.2034000      0.3378000    
 H   -3.578200      0.8314000     -0.9922000    
 H  -0.9747000      -1.545300       1.401500    
 H   -2.742300      -1.678600       1.504200    
 H   -1.908700      -2.348200      7.1800001E-02
 H  -0.9043000      0.8443000       1.601300    
 H   -2.099000       1.868000      0.6231000    
 H   -2.632000      0.7806000       1.893300    
 H   0.4440000      -2.314100     -0.7452000    
 H    2.952300       1.743300      0.6244000    
 H    2.761000      -2.503300      6.5300003E-02
 H    4.017000     -0.4756000      0.7459000    


%chk=000052137-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000052137

1 1
Br 0.440646 2.821518 -0.538985
N -2.140737 -0.251702 0.156911
C -1.031077 -0.107709 -0.956555
C -3.496107 -0.055663 -0.520814
C -2.091491 -1.639070 0.789934
C -1.965279 0.799324 1.249600
C 0.394274 -0.149789 -0.462565
C 1.173399 1.020408 -0.230965
C 1.046215 -1.407452 -0.306723
C 2.521065 0.945589 0.177570
C 2.390028 -1.499483 0.105241
C 3.125672 -0.319064 0.355904
H -1.256899 0.847921 -1.457666
H -1.235811 -0.936855 -1.655168
H -3.608642 -0.796633 -1.327267
H -4.295639 -0.191492 0.223470
H -3.546654 0.961067 -0.938958
H -1.117157 -1.778272 1.279019
H -2.898088 -1.716299 1.535339
H -2.233943 -2.400114 0.007238
H -0.986488 0.658838 1.730082
H -2.010701 1.800678 0.798754
H -2.771396 0.675386 1.989415
H 0.494497 -2.325231 -0.543947
H 3.096611 1.860595 0.340937
H 2.865482 -2.478947 0.211088
H 4.173020 -0.373851 0.668411


