%chk=000089396.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000089396

0 1
 O    2.565400       1.409800       1.213300    
 O    3.440400     -0.7356000     -0.3213000    
 N   -3.156400      -1.840800       1.667400    
 C   -2.832600      0.4720000     -0.9737000    
 C   -2.083800      0.1911000      0.3634000    
 C  -0.5935000     -5.6100000E-02  0.1807000    
 C   -2.209000       1.647900      -1.740400    
 C   -4.318500      0.7847000     -0.7354000    
 C   0.3036000      0.7993000      0.7870000    
 C  -0.1841000      -1.127800     -0.5862000    
 C    1.669800      0.5731000      0.6191000    
 C   -2.685800     -0.9491000       1.092500    
 C    1.181800      -1.354100     -0.7540000    
 C    2.108800     -0.5037000     -0.1513000    
 C    2.988000       2.546200      0.4621000    
 C    3.805900      -1.856900      -1.123300    
 H   -2.786200     -0.4137000      -1.621100    
 H   -2.213700       1.078100       1.000200    
 H   -2.193800       2.555900      -1.127800    
 H   -2.780100       1.864700      -2.649900    
 H   -1.183300       1.428400      -2.052000    
 H   -4.440100       1.645900     -6.9499999E-02
 H   -4.842700     -6.7299999E-02 -0.2916000    
 H   -4.822700       1.015600      -1.680300    
 H  -3.3399999E-02   1.639100       1.387900    
 H  -0.8931000      -1.799700      -1.060500    
 H    1.449800      -2.209200      -1.365000    
 H    2.135200       3.193700      0.2344000    
 H    3.481100       2.234500     -0.4640000    
 H    3.703600       3.110000       1.066800    
 H    3.464900      -1.741500      -2.157700    
 H    3.470900      -2.799100     -0.6763000    
 H    4.900000      -1.890000      -1.151300    


%chk=000089396-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000089396

0 1
O 2.373964 1.728555 1.018363
O 3.472551 -0.520054 -0.357623
N -3.376656 -2.156917 1.250804
C -2.976934 0.577820 -0.963065
C -2.242307 0.090553 0.348833
C -0.732490 -0.107979 0.155849
C -2.380233 1.917098 -1.449504
C -4.500294 0.706339 -0.733850
C 0.177409 0.865649 0.627965
C -0.223748 -1.233562 -0.531107
C 1.569074 0.737898 0.433261
C -2.868316 -1.151277 0.856462
C 1.165265 -1.384942 -0.729489
C 2.075290 -0.415480 -0.244559
C 3.432183 2.347343 0.192493
C 4.013042 -1.747035 -0.949953
H -2.796240 -0.193250 -1.739296
H -2.402957 0.873137 1.119037
H -2.527011 2.711491 -0.691845
H -2.886540 2.240936 -2.376781
H -1.299579 1.837168 -1.656970
H -4.718858 1.458120 0.049135
H -4.953001 -0.251999 -0.423911
H -5.000162 1.035666 -1.662819
H -0.170358 1.753808 1.166826
H -0.905994 -2.011072 -0.892849
H 1.535253 -2.275683 -1.245906
H 2.988391 2.838556 -0.695508
H 4.177048 1.599718 -0.122930
H 3.890862 3.104081 0.846812
H 3.704950 -1.855110 -2.008057
H 3.697177 -2.639156 -0.376094
H 5.105618 -1.635020 -0.891524


