%chk=000047252.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000047252

2 1
 Br  -2.480900      -3.296700      0.4768000    
 N    4.582500      0.2333000      0.3874000    
 N  -0.1206000     -0.2728000     -0.9034000    
 C    3.670900      7.0100002E-02 -0.7694000    
 C    2.222400      6.5000001E-03 -0.3049000    
 C    6.044900      0.3127000     -7.5000003E-02
 C    4.258700       1.519200       1.162100    
 C    4.454400     -0.9508000       1.356900    
 C    1.233700     -0.2112000      -1.446700    
 C  -0.8219000      0.8629000     -0.7947000    
 C  -0.6120000      -1.460900     -0.5331000    
 C   -2.119600      0.8443000     -0.2798000    
 C   -2.667400     -0.3939000      0.1200000    
 C   -1.894900      -1.554600     -1.2800000E-02
 C   -2.882600       2.015500     -0.1522000    
 C   -3.971600     -0.4291000      0.6401000    
 C   -4.176400       1.962500      0.3666000    
 C   -4.719900      0.7429000      0.7620000    
 H    3.951400     -0.8488000      -1.298100    
 H    3.823600      0.9171000      -1.449200    
 H    2.068500     -0.8069000      0.4103000    
 H    1.931600      0.9325000      0.2016000    
 H    6.143000       1.172600     -0.7441000    
 H    6.686700      0.4333000      0.8026000    
 H    6.284600     -0.6153000     -0.6024000    
 H    4.214200       2.348900      0.4507000    
 H    3.314600       1.402200       1.699500    
 H    5.059600       1.688000       1.889100    
 H    5.270600     -0.8839000       2.083500    
 H    3.503800     -0.8944000       1.892200    
 H    4.536800      -1.878200      0.7829000    
 H    1.439500      -1.144700      -1.983500    
 H    1.282300      0.6021000      -2.180100    
 H  -0.3330000       1.775300      -1.118300    
 H   4.0399998E-02  -2.317600     -0.6587000    
 H   -2.475500       2.977600     -0.4554000    
 H   -4.444200      -1.351900      0.9636000    
 H   -4.760000       2.873500      0.4620000    
 H   -5.727500      0.7036000       1.165700    


%chk=000047252-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000047252

2 1
Br -2.528334 -3.268406 0.740368
N 4.793576 0.188457 0.430300
N -0.199109 -0.157054 -0.776932
C 3.660044 0.126938 -0.624894
C 2.223818 0.041544 -0.063130
C 6.124362 0.318711 -0.328915
C 4.631697 1.403478 1.347238
C 4.835700 -1.088721 1.273483
C 1.222092 -0.068815 -1.247981
C -1.009667 0.939321 -0.801100
C -0.669789 -1.387864 -0.314729
C -2.351641 0.869761 -0.354856
C -2.879747 -0.397083 0.142737
C -1.977340 -1.522188 0.139596
C -3.195688 2.029186 -0.395526
C -4.232187 -0.450135 0.582859
C -4.517662 1.942041 0.043049
C -5.033379 0.699650 0.533199
H 3.885867 -0.752428 -1.254696
H 3.780444 1.032494 -1.246407
H 2.105675 -0.841986 0.589967
H 1.975002 0.938686 0.531232
H 6.118314 1.250930 -0.914053
H 6.948896 0.343477 0.399287
H 6.247049 -0.546869 -0.997754
H 4.551785 2.313598 0.733043
H 3.735081 1.282439 1.971660
H 5.517698 1.474610 1.996104
H 5.704755 -1.037489 1.946813
H 3.919086 -1.170200 1.874774
H 4.937476 -1.959720 0.607949
H 1.429413 -0.966564 -1.856776
H 1.300994 0.809251 -1.911679
H -0.585483 1.868544 -1.190555
H 0.024794 -2.228087 -0.356083
H -2.797750 2.976666 -0.774704
H -4.645091 -1.391424 0.956247
H -5.167331 2.821523 0.012539
H -6.072720 0.648632 0.872124


