%chk=000086615.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000086615

0 1
 O   -4.510900       2.086400      0.1848000    
 N  -0.8355000      -1.242000     -0.3869000    
 N   -3.335100      0.1577000     -0.3564000    
 C  -0.8981000      0.1638000      3.9000001E-02
 C   -2.077000      -1.943500     -2.8700000E-02
 C   -2.085800      0.8737000     -0.6099000    
 C   -3.291200      -1.272700     -0.6738000    
 C   0.3213000      -1.908400      0.2097000    
 C   -4.473200      0.8628000      3.2299999E-02
 C   -5.718800      4.9500000E-02  0.2787000    
 C    1.606000      -1.247700     -0.1943000    
 C   -6.843700      0.9520000      0.7238000    
 C    2.468300     -0.7147000      0.6859000    
 C    3.747100     -7.1900003E-02  0.3402000    
 C    3.949200      0.3876000     -0.9518000    
 C    4.725300      6.1999999E-02   1.312900    
 C    5.160800      0.9963000      -1.279500    
 C    5.936800      0.6709000      0.9852000    
 C    6.154400       1.138000     -0.3111000    
 H  -1.9000000E-03  0.7185000     -0.2597000    
 H  -0.9833000      0.2333000       1.131900    
 H   -2.208300      -1.963000       1.061500    
 H   -2.033300      -2.983200     -0.3744000    
 H   -2.148600       1.902300     -0.2397000    
 H   -1.957000      0.9252000      -1.698100    
 H   -3.238000      -1.355400      -1.766500    
 H   -4.198600      -1.789700     -0.3563000    
 H   0.3664000      -2.946800     -0.1423000    
 H   0.2294000      -1.949300       1.303300    
 H   -6.006200     -0.4631000     -0.6450000    
 H   -5.518700     -0.6920000       1.059000    
 H    1.817200      -1.258800      -1.259900    
 H   -7.748600      0.3637000      0.9079000    
 H   -7.083900       1.702000     -3.7700001E-02
 H   -6.594600       1.478800       1.651500    
 H    2.232400     -0.7549000       1.747100    
 H    3.196600      0.3190000      -1.730900    
 H    4.571500     -0.2979000       2.326700    
 H    5.329000       1.365000      -2.287300    
 H    6.710700      0.7814000       1.739100    
 H    7.097200       1.613100     -0.5658000    


%chk=000086615-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000086615

0 1
O -4.649282 2.039164 0.529772
N -0.885844 -1.045675 -0.244400
N -3.456969 0.240770 -0.331550
C -1.057859 0.330165 0.289904
C -2.127043 -1.835515 -0.070365
C -2.216688 1.042414 -0.429128
C -3.302463 -1.149035 -0.800096
C 0.312053 -1.734380 0.303903
C -4.628322 0.825865 0.147691
C -5.891030 -0.054810 0.193724
C 1.598172 -1.101344 -0.176280
C -7.120661 0.733184 0.680862
C 2.623849 -0.733481 0.642952
C 3.922989 -0.151473 0.246487
C 4.297060 0.072016 -1.110466
C 4.852564 0.207029 1.263533
C 5.547699 0.635588 -1.431446
C 6.106208 0.770606 0.943631
C 6.460443 0.988857 -0.407233
H -0.120474 0.891102 0.127406
H -1.262113 0.315788 1.391038
H -2.395946 -1.957992 1.011232
H -1.972741 -2.843249 -0.500269
H -2.422071 2.027812 0.019121
H -1.953458 1.178042 -1.497390
H -3.086963 -1.147975 -1.888602
H -4.228197 -1.718990 -0.630548
H 0.268812 -2.784386 -0.054482
H 0.304007 -1.773734 1.423437
H -6.085080 -0.474859 -0.813627
H -5.709567 -0.920850 0.862273
H 1.662129 -0.963266 -1.264612
H -8.007637 0.075128 0.723765
H -7.336910 1.578787 0.006700
H -6.941442 1.157686 1.682554
H 2.487345 -0.877646 1.726430
H 3.608141 -0.198983 -1.918218
H 4.582998 0.041421 2.314378
H 5.816638 0.799622 -2.481204
H 6.804341 1.038886 1.744467
H 7.432612 1.425712 -0.660843


