%chk=000047235.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000047235

0 1
 O   -1.087800      -1.049100      0.8512000    
 O   -1.248000      -2.119100      -1.206900    
 N   -1.822400       2.848000     -7.8400001E-02
 N    3.624300     -0.4655000      9.0200000E-02
 N   -2.659200      -2.690400      0.5437000    
 C  -0.3153000      0.9180000     -0.2793000    
 C   -1.719800       1.429700     -0.4200000    
 C  -6.8000004E-02 -0.2973000      0.3496000    
 C    2.298700      9.9999997E-05 -3.4000002E-02
 C   0.7327000       1.678900     -0.7866000    
 C    1.242800     -0.7577000      0.4727000    
 C    2.043900       1.218800     -0.6634000    
 C   -1.404700       3.071900       1.305100    
 C   -3.189400       3.325600     -0.2833000    
 C    4.724600      0.4720000      0.1947000    
 C    3.901900      -1.887500      0.1289000    
 C   -1.637900      -1.978900     -5.1399998E-02
 C   -3.416500      -3.717500     -0.1329000    
 H   -2.016700       1.275200      -1.465900    
 H   -2.422600      0.8529000      0.1938000    
 H   0.5571000       2.622000      -1.297000    
 H    1.415500      -1.703800      0.9791000    
 H    2.841600       1.825700      -1.081900    
 H  -0.3434000       2.863700       1.471100    
 H   -1.990000       2.475500       2.015100    
 H   -1.536400       4.127700       1.571200    
 H   -3.256600       4.399700     -7.7500001E-02
 H   -3.911500       2.806200      0.3572000    
 H   -3.492900       3.188200      -1.327200    
 H    5.616900     -1.0100000E-02  0.6098000    
 H    4.478900       1.306300      0.8616000    
 H    4.993000      0.8670000     -0.7907000    
 H    3.300300      -2.434500     -0.6059000    
 H    3.707100      -2.294100       1.126900    
 H    4.951700      -2.091400     -0.1106000    
 H   -2.892400      -2.479200       1.509100    
 H   -4.465200      -3.411100     -0.1518000    
 H   -3.320900      -4.643900      0.4386000    
 H   -3.056900      -3.871700      -1.152900    


%chk=000047235-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000047235

0 1
O -0.884167 -1.427377 0.749771
O -1.878074 -1.638400 -1.404393
N -1.888981 2.734552 0.003545
N 3.832391 -0.438215 0.098521
N -2.660659 -2.802109 0.486323
C -0.275613 0.823334 -0.111252
C -1.725971 1.276876 -0.213894
C 0.096761 -0.476529 0.299590
C 2.495044 -0.027012 0.025469
C 0.790659 1.685890 -0.467583
C 1.430832 -0.911502 0.375534
C 2.138528 1.291673 -0.403940
C -1.673293 3.128553 1.409966
C -3.168771 3.240914 -0.526386
C 4.902301 0.477621 -0.309717
C 4.156564 -1.799085 0.536552
C -1.830071 -1.935548 -0.188044
C -3.746202 -3.519235 -0.184629
H -2.102171 1.039453 -1.227817
H -2.354489 0.682233 0.497642
H 0.524505 2.700269 -0.785390
H 1.616030 -1.936965 0.703008
H 2.913232 2.009262 -0.688143
H -0.680750 2.782285 1.745165
H -2.441581 2.701766 2.105062
H -1.703501 4.229646 1.498736
H -3.205127 4.340317 -0.418399
H -4.067601 2.817544 -0.007748
H -3.249590 2.997857 -1.600840
H 5.876649 -0.024617 -0.199214
H 4.921044 1.395557 0.313641
H 4.798506 0.790376 -1.369536
H 3.728418 -2.568070 -0.140557
H 3.778820 -2.001960 1.559949
H 5.250270 -1.930714 0.548981
H -2.480787 -2.940807 1.480744
H -4.727645 -3.273637 0.262039
H -3.596073 -4.614087 -0.138843
H -3.752938 -3.209809 -1.241913


