%chk=000046093.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000046093

0 1
 O   -2.124000     -0.4119000     -0.8879000    
 O   -2.417100      0.7065000       1.129400    
 N    2.663800       1.390200      0.2706000    
 N   -4.000400      0.8668000     -0.5586000    
 C    2.710400      7.4600004E-02 -0.3667000    
 C    1.426500     -0.6982000     -0.1386000    
 C    3.019800      0.2329000      -1.857200    
 C   0.2377000     -0.1865000     -0.6255000    
 C    1.475600      -1.896200      0.5502000    
 C    3.911700       2.115800      3.6899999E-02
 C    2.412100       1.254700       1.704800    
 C  -0.9437000     -0.8981000     -0.4161000    
 C   0.2945000      -2.607600      0.7595000    
 C  -0.9152000      -2.108800      0.2764000    
 C   -2.821400      0.4246000      5.2000000E-03
 C   -4.930300       1.741100      0.1175000    
 H    3.540300     -0.5072000      6.1600000E-02
 H    2.875000     -0.7199000      -2.381800    
 H    4.059900      0.5238000      -2.038600    
 H    2.366800      0.9671000      -2.343800    
 H   0.2050000      0.7563000      -1.164400    
 H    2.410500      -2.295400      0.9322000    
 H    4.012200       2.436700      -1.004800    
 H    4.796300       1.535500      0.3241000    
 H    3.925300       3.046500      0.6173000    
 H    3.157000      0.6206000       2.200200    
 H    1.413800      0.8609000       1.920800    
 H    2.439600       2.238500       2.189100    
 H   0.3163000      -3.550100       1.298800    
 H   -1.831700      -2.668400      0.4424000    
 H   -4.226500      0.5615000      -1.500100    
 H   -5.892700       1.228100      0.1853000    
 H   -5.045200       2.646600     -0.4831000    
 H   -4.577500       2.001800       1.118100    


%chk=000046093-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000046093

0 1
O -2.273207 -0.613529 -0.409877
O -2.040756 1.300572 0.998055
N 2.499599 1.399291 0.274513
N -3.944990 0.903805 -0.326896
C 2.722200 0.026137 -0.259743
C 1.467454 -0.840473 -0.085805
C 3.105484 0.045661 -1.763030
C 0.183000 -0.276391 -0.275718
C 1.587430 -2.224464 0.187741
C 3.571043 2.362106 -0.054262
C 2.227475 1.392189 1.730817
C -0.952553 -1.102430 -0.172517
C 0.437085 -3.042365 0.266447
C -0.847268 -2.484381 0.090117
C -2.695492 0.622941 0.173456
C -4.699120 2.090212 0.082862
H 3.560041 -0.477798 0.294911
H 3.112894 -0.985740 -2.155790
H 4.106141 0.479292 -1.933394
H 2.359875 0.625692 -2.336303
H 0.098244 0.798130 -0.459864
H 2.581519 -2.661918 0.342034
H 3.656851 2.498926 -1.144133
H 4.575561 2.063900 0.343093
H 3.313151 3.342175 0.385143
H 3.097196 1.024040 2.332599
H 1.357868 0.753352 1.952377
H 1.985498 2.416693 2.063741
H 0.537646 -4.112704 0.477381
H -1.754938 -3.091464 0.157604
H -4.338914 0.241729 -0.995653
H -5.643370 1.813397 0.587440
H -4.931678 2.735544 -0.784234
H -4.076569 2.660672 0.790087


