%chk=000047916.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000047916

0 1
 O    3.144000       1.288200      0.5179000    
 O   -3.143900       1.288400      0.5183000    
 N    2.178100       1.468800     -0.4737000    
 N   -2.178600       1.468300     -0.4740000    
 C  -3.0000001E-04  -1.955700     -0.6208000    
 C    1.269900     -0.3690000      0.8788000    
 C   -1.269300     -0.3687000      0.8794000    
 C  -9.9999997E-05  0.5194000      -1.155900    
 C    1.257400      -1.771000      0.2535000    
 C   -1.257500      -1.770800      0.2542000    
 C   5.0000002E-04 -0.1406000       1.722300    
 C  -5.0000002E-04 -0.8966000      -1.753100    
 C    1.226900      0.6195000     -0.2737000    
 C   -1.226700      0.6197000     -0.2732000    
 H  -5.0000002E-04  -2.959900      -1.059300    
 H    2.136700     -0.2871000       1.536400    
 H   -2.135800     -0.2864000       1.537300    
 H  -1.9999999E-04   1.292300      -1.928500    
 H    2.155900      -1.918000     -0.3587000    
 H    1.275700      -2.532600       1.042600    
 H   -1.275500      -2.532400       1.043300    
 H   -2.156400      -1.917600     -0.3576000    
 H   6.0000003E-04 -0.8273000       2.577600    
 H   6.9999998E-04  0.8814000       2.122600    
 H  -0.8846000      -1.038000      -2.386900    
 H   0.8834000      -1.038200      -2.387400    
 H    3.800300       1.963700      0.2771000    
 H   -3.800800       1.963100      0.2769000    


%chk=000047916-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000047916

0 1
O 3.248882 1.509527 0.439529
O -3.248762 1.509610 0.440462
N 2.100709 1.540193 -0.500442
N -2.100866 1.540242 -0.499853
C -0.000149 -2.008498 -0.622094
C 1.278741 -0.423068 0.912032
C -1.278542 -0.423021 0.912402
C -0.000173 0.493575 -1.101691
C 1.269043 -1.841095 0.258085
C -1.269080 -1.841052 0.258452
C 0.000227 -0.254273 1.788952
C -0.000290 -0.935757 -1.744918
C 1.230293 0.604978 -0.205595
C -1.230382 0.605015 -0.205247
H -0.000233 -3.016887 -1.080068
H 2.187783 -0.279235 1.518478
H -2.187406 -0.279161 1.519105
H -0.000271 1.286536 -1.866870
H 2.182334 -1.981459 -0.351248
H 1.283553 -2.607878 1.057949
H -1.283380 -2.607834 1.058321
H -2.182553 -1.981384 -0.350614
H 0.000331 -1.025582 2.584157
H 0.000320 0.735988 2.280278
H -0.895166 -1.043971 -2.387189
H 0.894398 -1.044002 -2.387445
H 3.795445 2.265650 0.104689
H -3.795407 2.265745 0.105782


