%chk=000033059.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000033059

0 1
 O  -0.4571000      -2.754500      0.2029000    
 N    2.865800     -0.1148000     -2.7200000E-02
 N    1.690400     -0.6346000     -0.4163000    
 C    5.070000      0.6610000     -0.4320000    
 C    4.378600       1.521000      0.6156000    
 C    4.013700     -0.3321000     -0.9039000    
 C    2.899700       1.287100      0.3769000    
 C   0.9412000     -0.9507000      0.5809000    
 C  -0.3994000      -1.537200      0.2933000    
 C   -1.577500     -0.6562000      0.1419000    
 C   -3.780400      0.9911000     -0.1422000    
 C   -1.416300      0.7110000      0.2704000    
 C   -2.810800      -1.221800     -0.1250000    
 C   -2.527500       1.541900      0.1273000    
 C   -3.922000     -0.3910000     -0.2682000    
 C   -4.968600       1.879600     -0.2944000    
 H    5.413600       1.277300      -1.270400    
 H    5.942700      0.1561000     -4.4999998E-03
 H    4.660100       1.177700       1.618800    
 H    4.653500       2.576600      0.5309000    
 H    3.754800     -0.1277000      -1.950100    
 H    4.375500      -1.363200     -0.8373000    
 H    2.315400       1.482400       1.281500    
 H    2.529700       1.935300     -0.4269000    
 H    1.188300     -0.8309000       1.650500    
 H  -0.4579000       1.173200      0.4829000    
 H   -2.939900      -2.295300     -0.2261000    
 H   -2.405200       2.616900      0.2303000    
 H   -4.893300     -0.8322000     -0.4761000    
 H   -4.682500       2.855700     -0.7010000    
 H   -5.699800       1.446900     -0.9856000    
 H   -5.450700       2.031600      0.6763000    


%chk=000033059-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000033059

0 1
O -0.744384 -1.712532 2.368508
N 2.745985 0.417594 0.141441
N 1.422673 0.223024 0.259948
C 4.710665 1.617175 -0.405634
C 5.118285 0.271721 0.259669
C 3.262742 1.360769 -0.878535
C 3.821584 -0.221029 0.947592
C 0.951081 -0.613006 1.186338
C -0.479899 -0.894158 1.414735
C -1.610818 -0.294628 0.620015
C -3.901319 0.730229 -0.773491
C -1.454061 0.590929 -0.481286
C -2.930067 -0.660091 1.008851
C -2.584872 1.088286 -1.162660
C -4.051865 -0.158265 0.324990
C -5.112714 1.296388 -1.492308
H 4.726602 2.432051 0.340588
H 5.379071 1.897695 -1.236166
H 5.433610 -0.453210 -0.512392
H 5.948095 0.387105 0.976259
H 2.635059 2.267085 -0.902712
H 3.239253 0.894846 -1.884699
H 3.720720 -1.323915 0.931454
H 3.750584 0.107951 2.005325
H 1.602563 -1.168989 1.880907
H -0.447999 0.877936 -0.793727
H -3.039068 -1.347886 1.854162
H -2.444969 1.766538 -2.013984
H -5.059283 -0.456669 0.640836
H -4.880316 1.550043 -2.541595
H -5.956216 0.583411 -1.488861
H -5.466621 2.223799 -1.000368


