%chk=000047384.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000047384

0 1
 N   0.6435000      0.1594000      0.5659000    
 C  -0.3542000     -0.4598000     -0.3255000    
 C  -0.1188000      -1.999200     -0.2996000    
 C  -0.1075000      2.9400000E-02  -1.784500    
 C   -1.753700     -5.8899999E-02  0.2142000    
 C  -0.3136000      -2.681200       1.061200    
 C  -0.2876000       1.532500      -2.033900    
 C   -2.940400     -0.6481000     -0.5573000    
 C  -0.1194000      -4.187200      0.9546000    
 C   6.1799999E-02   1.896600      -3.470200    
 C   -4.264000     -0.1352000     -7.8999996E-03
 C    2.029000     -4.1900001E-02  0.2571000    
 C   0.2578000       1.343500       1.276600    
 C    3.189000     -0.2105000     -1.9000000E-03
 C  -6.4999998E-02   2.334700       1.871800    
 C    4.601900     -0.4163000     -0.3172000    
 C  -0.4587000       3.542000       2.596800    
 H   0.8876000      -2.240500     -0.6667000    
 H  -0.8013000      -2.471000      -1.019200    
 H  -0.7838000     -0.5104000      -2.460600    
 H   0.9008000     -0.2566000      -2.112200    
 H   -1.856300     -0.3389000       1.271100    
 H   -1.891200       1.028500      0.1779000    
 H   -1.321700      -2.496600       1.445000    
 H   0.3950000      -2.280600       1.794000    
 H   0.3577000       2.117200      -1.372100    
 H   -1.322400       1.832700      -1.841200    
 H   -2.934400      -1.740800     -0.4908000    
 H   -2.882000     -0.3831000      -1.617700    
 H   0.8894000      -4.428500      0.6048000    
 H  -0.8403000      -4.627900      0.2585000    
 H  -0.2611000      -4.657300       1.932800    
 H    1.104800       1.652000      -3.695000    
 H  -7.7500001E-02   2.969900      -3.633300    
 H  -0.5783000       1.359800      -4.177600    
 H   -5.099300     -0.5719000     -0.5643000    
 H   -4.381400     -0.4037000       1.046800    
 H   -4.331100      0.9540000     -9.5799997E-02
 H    4.897000      -1.451800     -0.1229000    
 H    4.801000     -0.1985000      -1.370800    
 H    5.235400      0.2371000      0.2902000    
 H   -1.546700       3.596800       2.698400    
 H  -2.2900000E-02   3.553100       3.600300    
 H  -0.1213000       4.439600       2.069900    


%chk=000047384-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000047384

0 1
N 0.652078 0.373913 0.359159
C -0.410518 -0.380094 -0.468018
C -0.173980 -1.907743 -0.256379
C -0.166203 -0.039771 -1.969975
C -1.808964 0.075410 0.025914
C -0.390751 -2.432538 1.179553
C -0.371230 1.437509 -2.368132
C -3.000465 -0.585100 -0.704338
C 0.028707 -3.911916 1.321219
C 0.067170 1.709963 -3.823859
C -4.352522 -0.072707 -0.160536
C 1.972962 0.128466 0.102676
C 0.322310 1.273090 1.334584
C 3.161016 -0.105337 -0.141533
C 0.043354 2.089010 2.218781
C 4.583881 -0.364452 -0.411156
C -0.289242 3.057653 3.274944
H 0.868161 -2.131174 -0.562900
H -0.827258 -2.463750 -0.958118
H -0.821351 -0.686999 -2.586157
H 0.874993 -0.332772 -2.214679
H -1.894550 -0.131211 1.109531
H -1.891343 1.173879 -0.076106
H -1.454973 -2.326195 1.468325
H 0.193078 -1.811860 1.886295
H 0.206922 2.084182 -1.680306
H -1.435622 1.721280 -2.250447
H -2.956258 -1.685829 -0.588938
H -2.944587 -0.378399 -1.791068
H 1.101577 -4.041363 1.084344
H -0.547164 -4.558783 0.631906
H -0.137759 -4.281728 2.349636
H 1.141775 1.485637 -3.960325
H -0.095430 2.767339 -4.102769
H -0.499870 1.081318 -4.536983
H -5.203413 -0.548222 -0.681921
H -4.452934 -0.288940 0.919790
H -4.443258 1.022059 -0.291937
H 4.842534 -1.431559 -0.273761
H 4.870462 -0.075579 -1.440158
H 5.216346 0.219429 0.283717
H -1.368990 3.016975 3.513517
H 0.261344 2.842395 4.210276
H -0.054236 4.096914 2.976028


