%chk=000032958.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000032958

0 1
 O   -1.030000     -2.6300000E-02 -9.6100003E-02
 N   -4.662900     -0.3942000     -0.5318000    
 N  -5.2000000E-03 -0.9786000     -9.0800002E-02
 C   -5.797100      0.5276000     -0.5864000    
 C   -4.991000      -1.337200      0.5370000    
 C   -6.995500     -0.3987000     -0.4421000    
 C   -6.466600      -1.622600      0.2993000    
 C   -3.400300      0.2915000     -0.2997000    
 C   -2.258900     -0.7110000     -0.2878000    
 C    1.120100     -0.3595000      8.3999999E-02
 C    2.373700      -1.140600      0.1294000    
 C    1.173200       1.103300      0.2989000    
 C    3.494600     -0.8043000     -0.6413000    
 C    2.024100       1.937400     -0.4384000    
 C    3.527600      0.2969000      -1.610400    
 C    2.894400       1.474100      -1.524400    
 C    2.395500      -2.262500      0.9723000    
 C   0.3236000       1.637500       1.280100    
 C    4.633300      -1.623300     -0.5514000    
 C    1.988200       3.318900     -0.1815000    
 C    3.539600      -3.052400       1.057400    
 C   0.3146000       3.007900       1.529500    
 C    4.658700      -2.733000      0.2960000    
 C    1.146000       3.849100      0.7981000    
 H   -5.830600       1.086600      -1.526800    
 H   -5.779900       1.243200      0.2457000    
 H   -4.854800     -0.8933000       1.531600    
 H   -4.415700      -2.266400      0.4822000    
 H   -7.377400     -0.6974000      -1.425400    
 H   -7.813000      8.3999999E-02  0.1030000    
 H   -7.000000      -1.787500       1.241000    
 H   -6.596700      -2.516600     -0.3218000    
 H   -3.403900      0.8619000      0.6387000    
 H   -3.216500       1.022400      -1.097500    
 H   -2.220900      -1.257800      -1.238600    
 H   -2.367200      -1.432800      0.5292000    
 H    4.165500      0.1351000      -2.477800    
 H    3.060300       2.190700      -2.327300    
 H    1.529900      -2.526200       1.575200    
 H  -0.2992000       1.003600       1.907600    
 H    5.519400      -1.406100      -1.145200    
 H    2.621600       4.002900     -0.7437000    
 H    3.556200      -3.917000       1.714200    
 H  -0.3330000       3.417000       2.299300    
 H    5.550700      -3.350000      0.3548000    
 H    1.140000       4.918600      0.9870000    


%chk=000032958-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000032958

0 1
O -1.126788 0.088794 0.161181
N -4.770453 -0.508153 -0.377115
N 0.047501 -0.777308 0.090554
C -5.944534 0.396033 -0.499622
C -5.215873 -1.591422 0.540148
C -7.141276 -0.576938 -0.636775
C -6.676424 -1.880316 0.098789
C -3.524539 0.179558 0.011172
C -2.311196 -0.746378 -0.145906
C 1.197559 -0.117278 0.171362
C 2.380337 -1.032913 0.176184
C 1.355939 1.358071 0.344709
C 3.521976 -0.829429 -0.666467
C 2.245735 2.132442 -0.470003
C 3.714342 0.325189 -1.548194
C 3.165227 1.581273 -1.470639
C 2.316875 -2.196130 0.989661
C 0.567601 2.018135 1.326296
C 4.540680 -1.829846 -0.677511
C 2.258701 3.550811 -0.303308
C 3.345666 -3.158661 0.979616
C 0.632108 3.413466 1.504469
C 4.465844 -2.975612 0.133362
C 1.474163 4.189362 0.671639
H -5.826831 1.067659 -1.368585
H -6.069009 1.033882 0.414083
H -5.192252 -1.250580 1.608512
H -4.564677 -2.478655 0.454469
H -7.340513 -0.789772 -1.700762
H -8.060751 -0.150667 -0.199169
H -7.313339 -2.119809 0.968170
H -6.710862 -2.742328 -0.588703
H -3.563892 0.564470 1.063252
H -3.382475 1.052080 -0.652842
H -2.243999 -1.126931 -1.180997
H -2.336093 -1.601201 0.555238
H 4.466975 0.173979 -2.334768
H 3.531040 2.315612 -2.201991
H 1.434551 -2.336650 1.621015
H -0.113302 1.424151 1.940936
H 5.406831 -1.685758 -1.334646
H 2.921308 4.145639 -0.943481
H 3.272084 -4.046777 1.616528
H 0.015608 3.895797 2.270687
H 5.269078 -3.720039 0.108964
H 1.515847 5.278050 0.785787


