%chk=000085574.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000085574

0 1
 O    3.626500      4.2300001E-02 -0.4053000    
 N   -3.395400       1.917500     -0.3866000    
 C   -1.983900     -0.2168000      0.1200000    
 C   -2.639400      -1.522800     -0.2315000    
 C   -2.523900      -1.105500       1.205300    
 C  -0.5017000     -0.1490000     -1.8500000E-02
 C   -2.767600      0.9684000     -0.1613000    
 C   0.2847000      0.2185000       1.073300    
 C   9.9100001E-02 -0.4521000      -1.240400    
 C    1.672100      0.2829000      0.9431000    
 C    1.486500     -0.3877000      -1.370400    
 C    2.272900     -2.0199999E-02 -0.2786000    
 C    4.370000      0.4245000      0.7509000    
 H   -2.034200      -2.364500     -0.5499000    
 H   -3.629000      -1.517400     -0.6759000    
 H   -3.436500     -0.8219000       1.718700    
 H   -1.843000      -1.673600       1.829800    
 H  -0.1701000      0.4626000       2.029900    
 H  -0.5006000     -0.7350000      -2.101600    
 H    2.222400      0.5765000       1.830500    
 H    1.948800     -0.6238000      -2.325000    
 H    4.252500     -0.3012000       1.562900    
 H    4.126300       1.444400       1.067100    
 H    5.428400      0.4213000      0.4702000    


%chk=000085574-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000085574

0 1
O 3.675962 0.071260 -0.432399
N -3.291199 1.995693 -0.432589
C -2.037740 -0.272285 0.129365
C -2.775366 -1.584168 -0.251756
C -2.689614 -1.172543 1.213642
C -0.528263 -0.202426 0.020115
C -2.730009 0.970607 -0.178905
C 0.257994 0.185325 1.128426
C 0.119988 -0.479679 -1.212074
C 1.663258 0.288864 1.029201
C 1.516899 -0.382538 -1.329940
C 2.294229 0.003539 -0.207825
C 4.527431 0.482718 0.686979
H -2.143033 -2.407721 -0.594597
H -3.739107 -1.493540 -0.759383
H -3.595182 -0.802650 1.701355
H -1.999268 -1.718064 1.862938
H -0.232085 0.411726 2.082583
H -0.477943 -0.771908 -2.082914
H 2.245142 0.590839 1.904696
H 2.028834 -0.594312 -2.273276
H 4.450417 -0.226637 1.533953
H 4.272211 1.503289 1.032547
H 5.551343 0.472012 0.286559


