%chk=000032556.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000032556

0 1
 O   -1.184900       2.139800     -0.3183000    
 O   -3.536900       1.658100      0.9245000    
 O   -2.174100      -2.382100      0.5452000    
 N  -0.2550000      0.3619000      0.8487000    
 C    1.796300      4.9800001E-02 -0.5930000    
 C    3.317300      0.2023000     -0.2665000    
 C    3.145700     -0.5487000       1.080200    
 C    1.125300      0.7136000      0.6540000    
 C    1.588700      -1.490500     -0.4983000    
 C    2.035100      0.2453000       1.811200    
 C    2.512800      -1.893900      0.6624000    
 C    1.324400      0.6311000      -1.913100    
 C    3.822400       1.652700     -0.1197000    
 C    4.287000     -0.4858000      -1.248400    
 C   -1.310600       1.110200      0.3423000    
 C   -2.678200      0.5405000      0.7130000    
 C   -3.292300     -0.4000000     -0.3661000    
 C   -2.371900      -1.615100     -0.6377000    
 C   -3.460600      0.4012000      -1.679300    
 C   -4.690600     -0.8904000      5.9000000E-02
 H    4.053800     -0.6663000       1.676100    
 H    1.169200       1.806100      0.5740000    
 H    1.882900      -2.000100      -1.422500    
 H   0.5601000      -1.786500     -0.2920000    
 H    1.513900     -0.3634000       2.558200    
 H    2.457900       1.108800       2.336800    
 H    1.956900      -2.367400       1.478600    
 H    3.271800      -2.608100      0.3265000    
 H    1.454900       1.717700      -1.940400    
 H    1.882200      0.2074000      -2.754500    
 H   0.2652000      0.4157000      -2.085400    
 H    3.257800       2.267100      0.5838000    
 H    4.860700       1.658300      0.2328000    
 H    3.797500       2.169900      -1.085500    
 H    5.302400     -0.4976000     -0.8353000    
 H    4.033500      -1.520500      -1.487700    
 H    4.322100      5.5900000E-02  -2.200500    
 H  -0.4517000     -0.4621000       1.404200    
 H   -2.611000      1.6700000E-02   1.673500    
 H   -1.405200      -1.314700      -1.046300    
 H   -2.831600      -2.278800      -1.378900    
 H   -2.497200      0.7145000      -2.094100    
 H   -4.080100       1.293600      -1.540500    
 H   -3.947700     -0.2146000      -2.445000    
 H   -5.392900     -5.7100002E-02  0.1705000    
 H   -4.648800      -1.417700       1.018300    
 H   -5.111700      -1.578900     -0.6823000    
 H   -3.201400       2.143600       1.697600    
 H   -1.652800      -1.860200       1.172600    


%chk=000032556-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000032556

0 1
O -1.213096 2.367623 0.213362
O -3.643816 1.737578 1.035320
O -1.900931 -2.108105 0.616635
N -0.308821 0.262035 0.706181
C 1.855290 -0.020659 -0.656534
C 3.365278 0.224612 -0.229829
C 3.185869 -0.502397 1.154987
C 1.100984 0.648918 0.555506
C 1.728937 -1.572022 -0.490392
C 1.993009 0.267648 1.793999
C 2.650375 -1.905351 0.737957
C 1.406638 0.507357 -2.021387
C 3.774045 1.714551 -0.105784
C 4.402679 -0.446936 -1.162408
C -1.347965 1.137013 0.541024
C -2.770209 0.588853 0.827615
C -3.367522 -0.330629 -0.306399
C -2.421793 -1.505631 -0.642466
C -3.583821 0.494089 -1.598997
C -4.720110 -0.877981 0.216441
H 4.088888 -0.535947 1.788655
H 1.078628 1.741507 0.402267
H 2.073496 -2.081985 -1.408398
H 0.680179 -1.885503 -0.336901
H 1.438634 -0.362162 2.513621
H 2.318496 1.170733 2.338766
H 2.097310 -2.385719 1.565879
H 3.471393 -2.588120 0.456113
H 1.554655 1.599951 -2.102604
H 1.960654 0.019752 -2.845441
H 0.328624 0.314916 -2.184255
H 3.120254 2.305122 0.556055
H 4.803026 1.788889 0.294116
H 3.771395 2.203508 -1.098258
H 5.413861 -0.370330 -0.719201
H 4.203372 -1.514293 -1.352179
H 4.433714 0.067348 -2.141485
H -0.561084 -0.708788 0.953469
H -2.749511 0.001484 1.764104
H -1.561299 -1.154689 -1.247306
H -2.981980 -2.265345 -1.222659
H -2.648787 0.974846 -1.942237
H -4.323706 1.289333 -1.409028
H -3.968187 -0.145509 -2.416088
H -5.343780 -0.044686 0.581464
H -4.560213 -1.585833 1.050652
H -5.268591 -1.402484 -0.589136
H -3.123585 2.524676 0.691476
H -1.720278 -3.069941 0.486408


