%chk=000004944.chk
%nprocshared=8
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000004944

0 1
 O  -0.9857000       1.103700     -0.3901000    
 O    1.189100     -0.1048000      0.8494000    
 O    2.141400     -0.4838000      -1.237700    
 N    3.244000      0.7877000      0.3591000    
 C   -2.031000       1.860200      0.2174000    
 C  -0.9783000     -0.2389000     -0.1590000    
 C   -1.423200       2.880800       1.167400    
 C   -2.865600       2.522800     -0.8679000    
 C   0.1133000     -0.8453000      0.4625000    
 C   -2.074600      -1.008000     -0.5493000    
 C   0.1089000      -2.220900      0.6936000    
 C   -2.079200      -2.383500     -0.3180000    
 C  -0.9874000      -2.990100      0.3033000    
 C    2.200300      2.4300000E-02 -0.1219000    
 C    4.428000       1.095800     -0.4087000    
 H   -2.692800       1.217300      0.8137000    
 H   -2.195800       3.484100       1.653500    
 H  -0.8335000       2.378200       1.941600    
 H  -0.7378000       3.550000      0.6355000    
 H   -3.677700       3.117000     -0.4378000    
 H   -3.300700       1.775300      -1.538600    
 H   -2.245600       3.177800      -1.490200    
 H   -2.929200     -0.5561000      -1.043800    
 H   0.9555000      -2.700000       1.177800    
 H   -2.931700      -2.982900     -0.6239000    
 H  -0.9908000      -4.061300      0.4828000    
 H    3.175400       1.154200       1.303500    
 H    5.296400      0.7213000      0.1387000    
 H    4.500600       2.182000     -0.5019000    
 H    4.389900      0.6401000      -1.400900    


%chk=000004944-Freq.chk
%nprocshared=12
%mem=21GB
#p freq=noraman PBEPBE/SDD

000004944

0 1
O -0.762582 0.854505 0.737246
O 1.442687 -0.784704 0.658668
O 1.441482 0.521930 -1.336903
N 3.023916 0.810721 0.382360
C -1.775039 1.880703 0.342588
C -0.996180 -0.488953 0.436685
C -1.290211 3.169509 1.012529
C -1.855952 1.982989 -1.189409
C 0.154831 -1.326003 0.403500
C -2.267716 -1.074628 0.222551
C 0.039259 -2.710914 0.203374
C -2.382783 -2.468264 0.015471
C -1.235895 -3.292415 0.013564
C 1.926408 0.244653 -0.217989
C 3.815516 1.856619 -0.266907
H -2.756831 1.587453 0.770860
H -1.996836 3.994255 0.810035
H -1.207922 3.033529 2.104435
H -0.297461 3.450355 0.619378
H -2.559330 2.785569 -1.478033
H -2.201583 1.038978 -1.644265
H -0.857810 2.209249 -1.601769
H -3.169273 -0.454270 0.232049
H 0.951721 -3.315175 0.191380
H -3.374362 -2.906570 -0.142017
H -1.326724 -4.371721 -0.144209
H 3.262602 0.482742 1.318216
H 4.864514 1.537490 -0.411037
H 3.803965 2.792705 0.321968
H 3.369794 2.056663 -1.254219


