%chk=000085510.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000085510

0 1
 O   -3.495200      -2.160500     -0.1420000    
 O   -1.401800      -2.284300      -1.019000    
 N   0.2216000     -0.4078000      0.2323000    
 C    1.567600     -7.7900000E-02 -1.0200000E-02
 C  -0.9651000      0.3587000      0.2313000    
 C    2.603300     -0.7796000      0.6128000    
 C   -2.189400     -0.2173000     -0.1077000    
 C    1.871200      0.9668000     -0.8873000    
 C    3.932300     -0.4391000      0.3608000    
 C  -0.9012000       1.708600      0.5763000    
 C    2.312400      -1.901100       1.556200    
 C   -3.349800      0.5568000     -0.1017000    
 C    3.200200       1.307500      -1.139600    
 C    4.230700      0.6044000     -0.5155000    
 C   -2.061500       2.482800      0.5826000    
 C   -3.285800       1.906900      0.2435000    
 C   -2.289600      -1.624900     -0.4729000    
 H   7.0000000E-02  -1.389000      0.4440000    
 H    1.092500       1.517000      -1.408600    
 H   3.2600001E-02   2.180200      0.8699000    
 H    4.747500     -0.9770000      0.8374000    
 H    1.633700      -1.573100       2.350800    
 H    1.864700      -2.744600       1.020400    
 H    3.222200      -2.267300       2.044500    
 H   -4.317000      0.1421000     -0.3735000    
 H    3.433000       2.116100      -1.826300    
 H    5.265400      0.8687000     -0.7133000    
 H   -2.012800       3.532700      0.8562000    
 H   -4.188800       2.510400      0.2467000    
 H   -3.554600      -3.107500     -0.3906000    


%chk=000085510-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000085510

0 1
O -3.622633 -2.193355 -0.298212
O -1.349524 -2.550679 -0.086017
N 0.237759 -0.403227 0.068837
C 1.592938 0.010208 -0.060147
C -0.915116 0.372810 0.118318
C 2.597099 -0.803670 0.556400
C -2.213676 -0.264471 0.014596
C 1.973306 1.137853 -0.836388
C 3.953484 -0.438392 0.391606
C -0.883865 1.789673 0.318957
C 2.210039 -2.027345 1.367376
C -3.398348 0.526298 0.065989
C 3.333194 1.483519 -0.976839
C 4.332040 0.698936 -0.357788
C -2.068884 2.536489 0.377023
C -3.340283 1.915853 0.234760
C -2.316402 -1.720251 -0.121123
H 0.048640 -1.421998 0.082129
H 1.209397 1.716759 -1.363674
H 0.076681 2.288149 0.467268
H 4.725053 -1.056080 0.866827
H 1.472590 -1.774892 2.152233
H 1.749996 -2.815648 0.738994
H 3.094700 -2.470118 1.854663
H -4.359550 0.012712 -0.022942
H 3.609413 2.353602 -1.582831
H 5.389902 0.961955 -0.463502
H -2.006719 3.617707 0.546571
H -4.257553 2.510871 0.273503
H -3.585379 -3.184566 -0.369085


