%chk=000037811.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000037811

0 1
 O    3.173800       1.795000     -0.3253000    
 N  -0.7491000     -6.6500001E-02 -0.1691000    
 N   -1.711800      -3.673800      6.3500002E-02
 C   0.4770000      0.5507000     -1.4000000E-02
 C   0.2095000       1.910900      0.1267000    
 C   -1.780600      0.8374000     -0.1246000    
 C   -1.211600       2.092200      5.8400001E-02
 C   -1.030000      -1.422900     -0.6110000    
 C    1.197900       3.019300      0.3027000    
 C    1.754000     -0.1936000     -3.3700000E-02
 C   -1.414200      -2.333200      0.5520000    
 C    2.569100       2.534000      0.7382000    
 C    3.001600      0.4397000     -0.1962000    
 C   -3.161100      0.6363000     -0.2375000    
 C   -2.065600       3.213700      0.1310000    
 C    1.756600      -1.597400      8.7200001E-02
 C   -3.986800       1.760700     -0.1598000    
 C   -3.449000       3.032300      2.1400001E-02
 C    4.184700     -0.3071000     -0.2959000    
 C    2.941200      -2.337300      1.5400000E-02
 C    4.154800      -1.692700     -0.1848000    
 C   -2.797200      -3.636000     -0.9184000    
 C   -2.063000      -4.561500       1.173700    
 H   -1.854100      -1.326400      -1.327400    
 H  -0.2266000      -1.794300      -1.252500    
 H    1.281300       3.555800     -0.6507000    
 H   0.8207000       3.725400       1.051900    
 H  -0.6640000      -2.361200       1.348300    
 H   -2.303400      -1.919100       1.049300    
 H    3.212200       3.402800      0.9191000    
 H    2.538600       1.965600       1.678200    
 H   -3.601800     -0.3454000     -0.3717000    
 H   -1.661700       4.212400      0.2707000    
 H   0.9215000      -2.213100      0.3293000    
 H   -5.064000       1.639800     -0.2411000    
 H   -4.108800       3.893800      7.8400001E-02
 H    5.137800      0.1943000     -0.4460000    
 H    2.914300      -3.417600      0.1294000    
 H    5.074800      -2.265700     -0.2456000    
 H   -2.468100      -3.225600      -1.878000    
 H   -3.670600      -3.078300     -0.5614000    
 H   -3.131500      -4.654100      -1.153800    
 H   -1.241400      -4.617200       1.896700    
 H   -2.229900      -5.582700      0.8132000    
 H   -2.965000      -4.228700       1.700100    


%chk=000037811-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000037811

0 1
O 3.108925 1.750593 -0.546039
N -0.862847 -0.034151 -0.142383
N -1.663097 -3.740134 0.080234
C 0.424473 0.576181 0.053478
C 0.223197 1.962980 0.231474
C -1.846631 0.959897 -0.072335
C -1.196835 2.215283 0.167109
C -1.179174 -1.382993 -0.645965
C 1.229235 3.071424 0.408245
C 1.675984 -0.210635 0.041730
C -1.764316 -2.311223 0.451354
C 2.670686 2.603354 0.590500
C 2.935820 0.366196 -0.331791
C -3.248286 0.862808 -0.231755
C -1.977363 3.397367 0.275439
C 1.702275 -1.603233 0.367781
C -4.002037 2.049655 -0.127279
C -3.374464 3.305205 0.128872
C 4.092270 -0.424317 -0.503536
C 2.860306 -2.391628 0.222430
C 4.058934 -1.810758 -0.251167
C -2.481225 -4.093667 -1.099989
C -1.948756 -4.627365 1.228119
H -1.897116 -1.266792 -1.479612
H -0.270809 -1.847174 -1.059428
H 1.185443 3.739055 -0.475948
H 0.956914 3.700826 1.282777
H -1.190398 -2.158189 1.384287
H -2.819289 -2.007546 0.678058
H 3.364049 3.461562 0.586806
H 2.795162 2.037446 1.534226
H -3.744997 -0.094820 -0.419926
H -1.501625 4.367002 0.461777
H 0.804936 -2.083118 0.762000
H -5.091245 2.006877 -0.240482
H -3.993097 4.206062 0.208376
H 5.010920 0.081917 -0.816285
H 2.821582 -3.455395 0.479132
H 4.960421 -2.417600 -0.387092
H -2.158115 -3.515329 -1.982031
H -3.575726 -3.911719 -0.943865
H -2.342081 -5.163712 -1.334346
H -1.266913 -4.388008 2.063516
H -1.774746 -5.678152 0.935401
H -2.999844 -4.543332 1.604434


