%chk=000164235.chk
%nprocshared=12
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000164235

0 1
 O  -0.7227000       3.041000      0.2511000    
 N    3.047600       2.337400     -7.5999998E-02
 C    1.497800      -1.272800     -0.3943000    
 C   0.5288000     -0.1601000     -0.2022000    
 C    1.385700      -2.332300      0.7415000    
 C    1.186900      -1.976800      -1.734100    
 C    2.936500     -0.7167000     -0.4674000    
 C  -0.9120000     -0.3952000     -0.1361000    
 C   0.7634000       1.156400     -6.4499997E-02
 C   -1.564100      0.8186000      4.7100000E-02
 C    1.689100      -1.814100       2.144000    
 C  -0.5380000       1.851300      0.1005000    
 C   -1.651700      -1.563100     -0.2242000    
 C   -2.936500      0.9373000      0.1492000    
 C   -3.045600      -1.477900     -0.1244000    
 C   -3.682200     -0.2376000      6.0600001E-02
 C    2.017100       1.804700     -7.0799999E-02
 H   0.4164000      -2.830800      0.7718000    
 H    2.103300      -3.138000      0.5315000    
 H    2.004800      -2.658000      -2.001900    
 H   0.2856000      -2.589700      -1.732800    
 H    1.098200      -1.252800      -2.553700    
 H    3.632200      -1.555800     -0.6126000    
 H    3.277800     -0.2430000      0.4565000    
 H    3.098300     -7.5499997E-02  -1.341100    
 H    1.011600      -1.005500       2.433300    
 H    2.718700      -1.457700       2.233900    
 H    1.563900      -2.624100       2.870700    
 H   -1.230500      -2.546400     -0.3693000    
 H   -3.420100       1.896500      0.2916000    
 H   -3.646100      -2.381500     -0.1917000    
 H   -4.765600     -0.1969000      0.1348000    


%chk=000164235-Freq.chk
%nprocshared=12
%mem=21GB
#p freq=noraman PBEPBE/SDD

000164235

0 1
O -0.712140 3.132780 0.265811
N 2.953450 2.632648 -0.076147
C 1.573246 -1.315381 -0.432044
C 0.555294 -0.196455 -0.219875
C 1.454652 -2.375418 0.728962
C 1.270027 -2.018231 -1.797809
C 3.037476 -0.808400 -0.494655
C -0.935672 -0.425493 -0.128292
C 0.780212 1.172023 -0.079089
C -1.586115 0.826527 0.068411
C 1.622915 -1.815757 2.157896
C -0.541564 1.897913 0.109424
C -1.724623 -1.590866 -0.203734
C -2.972816 0.953040 0.193259
C -3.137775 -1.478101 -0.077649
C -3.761718 -0.226887 0.118404
C 1.990920 1.920124 -0.084820
H 0.484283 -2.900065 0.660947
H 2.234087 -3.139206 0.535093
H 1.969915 -2.863746 -1.929834
H 0.242281 -2.411057 -1.861641
H 1.418618 -1.316570 -2.638025
H 3.707276 -1.674614 -0.647662
H 3.353368 -0.297148 0.429107
H 3.194748 -0.111689 -1.335747
H 0.837491 -1.077137 2.400993
H 2.602475 -1.325307 2.296007
H 1.553950 -2.632457 2.899147
H -1.288096 -2.580858 -0.355913
H -3.425604 1.938418 0.344096
H -3.750939 -2.384031 -0.135400
H -4.851021 -0.167699 0.211780


