%chk=000017616.chk
%nprocshared=8
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000017616

0 1
 O   -2.251000       1.886900     -0.5446000    
 O    3.492400       1.112500      0.5334000    
 C  -0.3122000     -0.9962000      5.2200001E-02
 C    1.059000     -0.3798000      0.3989000    
 C  -0.9506000      0.2489000      0.7026000    
 C   0.3602000      0.9956000      0.3779000    
 C  -0.6168000      -1.139200      -1.422100    
 C  -0.5723000      -2.310000      0.7654000    
 C    2.156000     -0.5202000     -0.6539000    
 C   -2.248400      0.8057000      4.1900001E-02
 C    3.375100      0.3310000     -0.4045000    
 C   -3.491400     -3.5200000E-02  0.1527000    
 H    1.420700     -0.6506000       1.401500    
 H   -1.088100      0.1430000       1.789400    
 H   0.3762000       1.512700     -0.5887000    
 H   0.6940000       1.698600       1.147200    
 H   -1.635800      -1.497000      -1.597900    
 H  -0.5051000     -0.2033000      -1.980200    
 H   4.4700000E-02  -1.877800      -1.890600    
 H   -1.614300      -2.626500      0.6479000    
 H   6.7599997E-02  -3.107000      0.3705000    
 H  -0.3755000      -2.233800       1.840600    
 H    1.806800     -0.2435000      -1.653900    
 H    2.493900      -1.561700     -0.6948000    
 H    4.187700      0.2135000      -1.142000    
 H   -3.379100     -0.9754000     -0.3864000    
 H   -3.699400     -0.2329000       1.207400    
 H   -4.339400      0.5115000     -0.2698000    


%chk=000017616-Freq.chk
%nprocshared=8
%mem=21GB
#p freq=noraman PBEPBE/SDD

000017616

0 1
O -2.226848 1.521847 -1.060598
O 3.649732 0.826858 0.886635
C -0.295432 -1.072429 -0.039770
C 1.068767 -0.329092 0.279144
C -1.034671 0.210774 0.604831
C 0.287892 1.015888 0.430452
C -0.576162 -1.228294 -1.548379
C -0.519355 -2.398924 0.704360
C 2.231677 -0.401844 -0.712985
C -2.286440 0.712809 -0.092427
C 3.492375 0.307785 -0.244250
C -3.620012 0.166791 0.406968
H 1.433850 -0.649947 1.274116
H -1.257713 -0.008208 1.666069
H 0.255429 1.601843 -0.505348
H 0.586423 1.674250 1.259721
H -1.600778 -1.608511 -1.720293
H -0.488187 -0.270636 -2.090981
H 0.126549 -1.953773 -1.999659
H -1.555232 -2.767402 0.572724
H 0.160895 -3.183854 0.320071
H -0.329784 -2.289163 1.788017
H 1.958767 0.019793 -1.703036
H 2.524219 -1.456320 -0.921084
H 4.319932 0.336000 -1.001959
H -3.574736 -0.932192 0.527732
H -3.844377 0.588822 1.406163
H -4.431880 0.436931 -0.286134


