%chk=000035447.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000035447

0 1
 O   -5.020100       1.609300      -1.126300    
 O   -2.452400      -1.786900      0.1639000    
 N   -3.142100      0.3862000      0.6134000    
 C    1.578700     -0.4302000      1.5799999E-02
 C    4.250100      0.4351000     -0.1023000    
 C   -4.561400      0.1224000      0.6904000    
 C    1.969100      0.7793000      0.6156000    
 C    2.553700      -1.197400     -0.6443000    
 C    3.294900       1.208800      0.5570000    
 C    3.879500     -0.7680000     -0.7028000    
 C   0.2159000     -0.8717000      7.5700000E-02
 C   -5.210400      0.2743000     -0.6761000    
 C  -0.8175000     -5.4299999E-02  0.3288000    
 C   -2.205700     -0.6006000      0.3549000    
 C    5.667700      0.8939000     -0.1638000    
 H   -4.976800      0.8499000       1.395300    
 H   -4.725900     -0.8867000       1.081200    
 H    1.272300       1.407900       1.163200    
 H    2.286800      -2.138700      -1.120400    
 H    3.573600       2.144200       1.034900    
 H    4.615000      -1.380400      -1.217800    
 H   4.4199999E-02  -1.928700     -0.1106000    
 H   -2.839600       1.345600      0.7556000    
 H   -6.285600      8.3099999E-02 -0.6143000    
 H   -4.775600     -0.4077000      -1.413700    
 H  -0.7084000       1.011600      0.4912000    
 H    6.157700      0.5426000      -1.078300    
 H    5.729200       1.987500     -0.1677000    
 H    6.223100      0.5143000      0.6996000    
 H   -4.061900       1.761300      -1.192300    


%chk=000035447-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000035447

0 1
O -5.407428 1.569715 -1.025780
O -2.520120 -1.589772 -0.251657
N -3.255752 0.393700 0.714980
C 1.619866 -0.241194 -0.076238
C 4.428086 0.390019 -0.085894
C -4.665512 -0.035699 0.735746
C 2.096204 1.002924 0.431266
C 2.581948 -1.157313 -0.589083
C 3.468925 1.308623 0.423499
C 3.956382 -0.847217 -0.595080
C 0.201713 -0.619150 -0.099204
C -5.357861 0.153784 -0.629617
C -0.869224 0.110970 0.336203
C -2.248005 -0.443150 0.234332
C 5.910034 0.715887 -0.061658
H -5.195329 0.557345 1.501869
H -4.705169 -1.105864 1.012537
H 1.388168 1.737675 0.831005
H 2.239068 -2.119260 -0.989554
H 3.810404 2.273943 0.816723
H 4.673487 -1.571363 -0.999777
H -0.040638 -1.608853 -0.515021
H -3.004273 1.283605 1.146977
H -6.411869 -0.161852 -0.558973
H -4.846072 -0.463627 -1.393113
H -0.745796 1.112587 0.770468
H 6.452048 0.200831 -0.873953
H 6.088925 1.800745 -0.163725
H 6.370149 0.396450 0.893989
H -4.484259 1.861511 -1.235468


