%chk=000097745.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000097745

0 1
 O   0.2175000      -1.376100      0.2109000    
 O   -3.335200      0.8956000      0.1848000    
 O    2.060600      -2.088500     -0.9861000    
 O   -4.892000     -0.7099000     -0.3949000    
 C   0.2622000     -0.1144000     -0.4581000    
 C  -0.9391000      0.7302000     -1.4800000E-02
 C    1.599100      0.5239000     -0.1617000    
 C   -2.279600      3.6800001E-02 -0.2285000    
 C    2.180100       1.351300      -1.108700    
 C    2.217900      0.2699000       1.051500    
 C    3.414300       1.940800     -0.8352000    
 C    3.452000      0.8596000       1.325000    
 C    4.050200       1.695100      0.3815000    
 C    1.181600      -2.269900     -0.1545000    
 C   -4.599400      0.3934000      4.5899998E-02
 C    1.012300      -3.539200      0.6243000    
 C   -5.602700       1.401300      0.5187000    
 H   0.1708000     -0.3066000      -1.536300    
 H  -0.9370000       1.696600     -0.5348000    
 H  -0.8523000      0.9722000       1.053300    
 H   -2.404500     -0.2050000      -1.290600    
 H   -2.324700     -0.8899000      0.3551000    
 H    1.691300       1.549600      -2.058100    
 H    1.764600     -0.3504000       1.818900    
 H    3.879700       2.592000      -1.569400    
 H    3.944200      0.6743000       2.275200    
 H    5.010200       2.155700      0.5953000    
 H   3.3100002E-02  -3.976000      0.4126000    
 H    1.120900      -3.335400       1.692500    
 H    1.784700      -4.253700      0.3255000    
 H   -5.525200       2.311000     -8.1900001E-02
 H   -5.435700       1.622100       1.576000    
 H   -6.610400      0.9921000      0.4030000    


%chk=000097745-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000097745

0 1
O 0.295737 -1.428160 0.242147
O -3.309940 0.836568 0.284550
O 1.409727 -2.316902 -1.609745
O -4.854491 -0.699700 -0.544601
C 0.329343 -0.059277 -0.405093
C -0.904081 0.678989 0.138855
C 1.650557 0.625248 -0.090906
C -2.209531 -0.012881 -0.256617
C 2.538031 0.962566 -1.141498
C 2.012433 0.935273 1.245515
C 3.759885 1.617063 -0.866630
C 3.236328 1.580875 1.522687
C 4.111515 1.929137 0.466357
C 0.916278 -2.466947 -0.469981
C -4.611275 0.364784 0.066446
C 0.905899 -3.743098 0.342460
C -5.624192 1.318165 0.662854
H 0.245887 -0.216841 -1.497125
H -0.894389 1.710410 -0.259743
H -0.847493 0.754815 1.239464
H -2.330394 -0.090616 -1.353643
H -2.290101 -1.024980 0.174913
H 2.277963 0.696701 -2.172544
H 1.344344 0.658338 2.069130
H 4.438668 1.872995 -1.687600
H 3.509631 1.813016 2.558179
H 5.060551 2.432721 0.681963
H -0.041450 -3.851653 0.894229
H 1.724798 -3.709424 1.084179
H 1.066470 -4.605945 -0.320591
H -5.538534 2.309712 0.185131
H -5.430195 1.455910 1.740442
H -6.638477 0.921637 0.513216


