%chk=000031903.chk
%nprocshared=8
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000031903

0 1
 O   0.2674000       2.273400     -0.3920000    
 O   -1.078500      -2.888300     -8.5800000E-02
 N    2.260400      0.4255000     -0.6664000    
 C    3.352600      8.5900001E-02  0.2072000    
 C    4.401100       1.201000      0.1347000    
 C    2.814000     -3.7400000E-02   1.636500    
 C    3.967400      -1.245400     -0.2408000    
 C   0.9760000      1.0700000E-02 -0.4587000    
 C  -4.5200001E-02   1.089200     -0.3215000    
 C   -1.451600      0.6981000     -9.5799997E-02
 C   0.6040000      -1.272600     -0.3755000    
 C   -1.812400     -0.6471000     -1.2900000E-02
 C  -0.7920000      -1.699200     -0.1513000    
 C   -2.431100       1.689900      3.6200002E-02
 C   -3.148600      -1.003800      0.2023000    
 C   -3.762800       1.332100      0.2502000    
 C   -4.120800     -1.2000000E-02  0.3335000    
 H    2.324300       1.340300      -1.107800    
 H    3.977200       2.165600      0.4383000    
 H    5.253700      0.9898000      0.7895000    
 H    4.783400       1.319400     -0.8860000    
 H    2.162400     -0.9041000       1.786700    
 H    2.264500      0.8605000       1.944200    
 H    3.644600     -0.1601000       2.342700    
 H    4.180200      -1.242900      -1.316200    
 H    4.913600      -1.427200      0.2827000    
 H    3.331200      -2.107500     -2.8600000E-02
 H    1.307900      -2.085300     -0.5004000    
 H   -2.178500       2.745200     -2.4400000E-02
 H   -3.451100      -2.045200      0.2703000    
 H   -4.521400       2.102700      0.3525000    
 H   -5.158000     -0.2879000      0.5004000    


%chk=000031903-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000031903

0 1
O 0.155868 2.384906 -0.414066
O -1.172594 -2.831330 0.688714
N 2.132965 0.702530 0.093142
C 3.464026 0.070079 0.321448
C 4.507939 1.198408 0.124173
C 3.567745 -0.474318 1.773031
C 3.721863 -1.052660 -0.720884
C 0.880719 0.152778 0.139095
C -0.194964 1.185432 -0.161034
C -1.610008 0.749066 -0.157505
C 0.520151 -1.165605 0.415747
C -1.941807 -0.606817 0.126289
C -0.861165 -1.615132 0.424100
C -2.634664 1.688811 -0.438232
C -3.295849 -1.007378 0.126989
C -3.983616 1.280714 -0.435819
C -4.313884 -0.068872 -0.153005
H 2.116958 1.707828 -0.134874
H 4.344323 2.021558 0.844532
H 5.525629 0.803975 0.284565
H 4.458712 1.610217 -0.900992
H 2.814497 -1.251594 1.982798
H 3.426329 0.343558 2.501704
H 4.566939 -0.917138 1.934853
H 3.675875 -0.644768 -1.746253
H 4.726336 -1.484099 -0.561429
H 2.985935 -1.870096 -0.645862
H 1.260672 -1.935881 0.640437
H -2.351265 2.724176 -0.652679
H -3.520501 -2.055403 0.348660
H -4.776247 2.004736 -0.652155
H -5.363015 -0.384382 -0.151691


