%chk=000118790.chk
%nprocshared=8
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000118790

1 1
 O   0.3568000      -1.888900     -0.7663000    
 O    4.810900     -0.9733000      0.3905000    
 N   -3.593700     -0.3435000     -6.8599999E-02
 N  -0.1071000       1.045500     -0.4172000    
 N    3.307900      0.8015000      0.3230000    
 N    1.504600       2.469400      0.1704000    
 N    2.592900      -1.455200     -0.1896000    
 C   -2.285300      0.1757000      0.3997000    
 C   -4.475700     -0.7512000       1.119700    
 C   -4.346300      0.7225000     -0.8771000    
 C   -1.422500      0.5814000     -0.7881000    
 C   -3.403000      -1.574900     -0.9652000    
 C   -3.792600      -1.859800       1.890100    
 C   -4.548500       1.950200     -1.6200000E-02
 C    1.027900      0.3001000     -0.2748000    
 C    1.998100       1.195200      8.5199997E-02
 C   0.2303000       2.344900     -0.1387000    
 C    1.241200      -1.100800     -0.4429000    
 C    3.661100     -0.5649000      0.1913000    
 C    4.306600       1.792500      0.7041000    
 C    2.936300      -2.866400     -0.3293000    
 H   -1.756600     -0.6266000      0.9253000    
 H   -2.424000      0.9829000       1.125800    
 H   -4.600100      0.1037000       1.788300    
 H   -5.450400      -1.069800      0.7342000    
 H   -3.803900      0.9419000      -1.800800    
 H   -5.313900      0.2908000      -1.160400    
 H   -1.278400     -0.2187000      -1.517700    
 H   -1.864800       1.419300      -1.337000    
 H   -2.626100      -2.219800     -0.5459000    
 H   -4.357900      -2.105000      -1.038800    
 H   -3.110100      -1.246800      -1.966900    
 H   -4.460400      -2.175500       2.701400    
 H   -3.599200      -2.758500       1.299900    
 H   -2.868700      -1.543700       2.380800    
 H   -5.085100       2.696000     -0.6165000    
 H   -5.177900       1.786200      0.8605000    
 H   -3.620100       2.439500      0.2863000    
 H  -0.4893000       3.151700     -0.1749000    
 H    4.386100       2.540900     -9.0300001E-02
 H    5.287600       1.335500      0.8574000    
 H    3.992400       2.274300       1.635000    
 H    2.083100      -3.484300     -0.6177000    
 H    3.335400      -3.224600      0.6250000    
 H    3.722500      -2.961000      -1.085000    


%chk=000118790-Freq.chk
%nprocshared=8
%mem=21GB
#p freq=noraman PBEPBE/SDD

000118790

1 1
O -0.052123 -1.699331 -0.415437
O 4.533270 -1.275360 0.593876
N -3.480677 -0.346382 -0.159075
N -0.081390 1.420913 -0.484834
N 3.310807 0.713194 0.336003
N 1.799778 2.640713 -0.024745
N 2.256966 -1.459908 0.065105
C -2.199529 0.398164 0.259126
C -4.120126 -0.977048 1.112991
C -4.512883 0.604968 -0.824811
C -1.452188 1.094138 -0.905450
C -3.148042 -1.460319 -1.163853
C -3.305916 -2.098985 1.768155
C -5.025499 1.752786 0.051829
C 0.953259 0.495216 -0.227471
C 2.086989 1.279939 0.045568
C 0.488735 2.686073 -0.350894
C 0.966424 -0.942781 -0.216205
C 3.444887 -0.699309 0.348333
C 4.490878 1.561963 0.622930
C 2.443531 -2.932766 0.088553
H -1.533474 -0.370129 0.677921
H -2.474840 1.122333 1.043156
H -4.275534 -0.148509 1.822887
H -5.108990 -1.348793 0.790241
H -4.024895 0.995599 -1.733949
H -5.344958 -0.045201 -1.148194
H -1.395231 0.429409 -1.784273
H -1.941705 2.035749 -1.207037
H -2.188200 -1.923429 -0.889353
H -3.968699 -2.193453 -1.154722
H -3.068212 -1.025034 -2.171192
H -3.885516 -2.462171 2.635276
H -3.143533 -2.960013 1.100830
H -2.329432 -1.761527 2.151407
H -5.710906 2.362819 -0.562661
H -5.602847 1.407309 0.924330
H -4.222475 2.425513 0.397946
H -0.074811 3.603941 -0.506447
H 4.706415 2.209814 -0.242014
H 5.342320 0.895088 0.818502
H 4.293328 2.194639 1.503321
H 1.476258 -3.397419 -0.147716
H 2.794523 -3.250919 1.083272
H 3.204364 -3.223095 -0.653227


