%chk=000039470.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000039470

0 1
 N    3.821500       1.273600     -0.3035000    
 N   -3.841500      0.9918000      0.9850000    
 C   8.6000003E-02   1.721000     -0.9358000    
 C   -1.114300       1.771200      1.2800000E-02
 C    1.390000       1.485400     -0.1650000    
 C   -2.437600       2.090400     -0.6934000    
 C    2.618800       1.493900      -1.070400    
 C   -3.650300       2.205200      0.2276000    
 C    4.316200     -1.8100001E-02 -7.3899999E-02
 C   -4.134600     -0.2258000      0.3544000    
 C    4.536200       2.435600      0.2279000    
 C   -3.709800       1.047400       2.442200    
 C    5.657200     -0.2085000      0.2764000    
 C   -3.897200      -1.437100       1.013000    
 C    3.473000      -1.128100     -0.1934000    
 C   -4.666900     -0.2401000     -0.9394000    
 C    6.149400      -1.493700      0.5041000    
 C   -4.188200      -2.648200      0.3853000    
 C    3.965200      -2.413300      3.4499999E-02
 C   -4.958000      -1.451300      -1.567000    
 C    5.303500      -2.595900      0.3832000    
 C   -4.718600      -2.655400     -0.9046000    
 H   0.1542000       2.665000      -1.489500    
 H  -5.8499999E-02  0.9213000      -1.671800    
 H  -0.9353000       2.530400      0.7843000    
 H   -1.190100      0.8069000      0.5286000    
 H    1.307200      0.5520000      0.4004000    
 H    1.502400       2.276600      0.5884000    
 H   -2.600500       1.346500      -1.480200    
 H   -2.326800       3.049000      -1.217000    
 H    2.679100       2.465400      -1.578600    
 H    2.514500      0.7611000      -1.880600    
 H   -4.548900       2.467400     -0.3429000    
 H   -3.484600       3.058000      0.8982000    
 H    3.914800       3.336900      0.1752000    
 H    4.797000       2.293600       1.282600    
 H    5.443600       2.631200     -0.3529000    
 H   -2.759100      0.6072000       2.761400    
 H   -3.728900       2.079900       2.807800    
 H   -4.538300      0.5264000       2.935200    
 H    6.353300      0.6200000      0.3700000    
 H   -3.473700      -1.478000       2.012400    
 H    2.429300      -1.049200     -0.4754000    
 H   -4.893100      0.6684000      -1.488700    
 H    7.191900      -1.636800      0.7729000    
 H   -3.999500      -3.586200      0.8995000    
 H    3.308100      -3.272600     -6.2799998E-02
 H   -5.375800      -1.457500      -2.569600    
 H    5.687000      -3.596600      0.5591000    
 H   -4.945800      -3.598300      -1.393200    


%chk=000039470-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000039470

0 1
N 4.089296 1.402520 -0.504129
N -3.804022 0.705990 0.999004
C 0.223930 1.769759 -0.892464
C -0.982804 1.780128 0.072769
C 1.575986 1.591793 -0.166815
C -2.332548 1.978159 -0.650726
C 2.774761 1.559672 -1.150063
C -3.556171 1.983265 0.304313
C 4.570055 0.142300 -0.114283
C -4.460519 -0.356445 0.356896
C 4.831502 2.612492 -0.132090
C -3.342996 0.543833 2.383156
C 5.837524 0.013590 0.539649
C -4.693871 -1.594046 1.038995
C 3.828482 -1.059377 -0.357889
C -4.931012 -0.248826 -0.992492
C 6.335257 -1.251271 0.913337
C -5.369533 -2.655686 0.403600
C 4.343410 -2.315292 0.019140
C -5.608162 -1.318965 -1.609649
C 5.600271 -2.431308 0.658141
C -5.837371 -2.535097 -0.924718
H 0.236798 2.715735 -1.474803
H 0.089084 0.952319 -1.631802
H -0.843221 2.586245 0.824535
H -1.005759 0.824658 0.633890
H 1.563370 0.656244 0.425672
H 1.724144 2.420208 0.555452
H -2.462461 1.181246 -1.408771
H -2.319807 2.942881 -1.200736
H 2.787705 2.502189 -1.731259
H 2.627226 0.748533 -1.889983
H -4.464005 2.276471 -0.259568
H -3.404958 2.764216 1.073897
H 4.280420 3.499104 -0.485449
H 4.959631 2.706959 0.966534
H 5.840221 2.634629 -0.593091
H -2.595210 -0.270234 2.484039
H -2.866918 1.478173 2.720425
H -4.182361 0.318535 3.073235
H 6.440538 0.900683 0.752869
H -4.351314 -1.730791 2.068638
H 2.845997 -1.018622 -0.837127
H -4.770173 0.668176 -1.566532
H 7.311377 -1.311345 1.409678
H -5.531185 -3.587943 0.958112
H 3.748794 -3.213874 -0.184999
H -5.956552 -1.199298 -2.642640
H 5.991639 -3.410754 0.951551
H -6.360983 -3.363530 -1.412651


