%chk=000100227.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000100227

0 1
 O   -2.755600       2.470100     -0.4004000    
 O   -2.734600      -3.112600      0.2890000    
 O   -5.065800      -1.642200      8.2699999E-02
 C   -1.539600      0.3952000     -0.1314000    
 C   -2.813900       1.101900     -0.2324000    
 C   -1.546600      -1.052400      4.7499999E-02
 C  -0.3573000       1.034000     -0.1974000    
 C   -3.977900      0.4392000     -0.1633000    
 C   -2.693300      -1.746200      0.1205000    
 C   -4.000600      -1.036800      1.8500000E-02
 C    3.408800      0.3703000     -6.6399999E-02
 C   0.9109000      0.3555000     -9.9900000E-02
 C    2.083500       1.005700     -0.1675000    
 C    3.529800     -0.9891000     -0.3053000    
 C    4.509000       1.144400      0.2657000    
 C    4.784700      -1.590500     -0.2094000    
 C    5.764000      0.5431000      0.3614000    
 C    5.901800     -0.8245000      0.1237000    
 C   -3.407300       3.134900      0.6644000    
 H  -0.6518000      -1.652200      0.1262000    
 H  -0.3160000       2.112400     -0.3326000    
 H   -4.937300      0.9367000     -0.2502000    
 H   0.9483000     -0.7063000      7.7000000E-02
 H    2.092700       2.085400     -0.3051000    
 H    2.697700      -1.622400     -0.5947000    
 H    4.417600       2.210700      0.4552000    
 H    4.894000      -2.654200     -0.4005000    
 H    6.633800       1.139400      0.6208000    
 H    6.879100      -1.292500      0.1967000    
 H   -4.496400       3.062500      0.5774000    
 H   -3.146100       4.196300      0.6066000    
 H   -3.075400       2.766000       1.642200    
 H   -3.670100      -3.378300      0.3116000    


%chk=000100227-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000100227

0 1
O -2.488041 2.394805 0.339478
O -3.241828 -3.136599 -0.179521
O -5.361886 -1.536435 0.003211
C -1.538161 0.190204 0.111783
C -2.748547 1.031030 0.211396
C -1.729645 -1.242143 -0.021168
C -0.277704 0.805034 0.147282
C -4.027707 0.491188 0.178734
C -2.994575 -1.781835 -0.053755
C -4.217070 -0.937118 0.044638
C 3.542089 0.299630 0.032448
C 0.994759 0.148920 0.065832
C 2.188916 0.849450 0.105111
C 3.816631 -1.097947 -0.088008
C 4.650821 1.198318 0.083752
C 5.141091 -1.568231 -0.153925
C 5.976560 0.726138 0.017395
C 6.229068 -0.660888 -0.101896
C -3.633452 3.306338 0.450439
H -0.864983 -1.905737 -0.098494
H -0.267138 1.897374 0.246966
H -4.929371 1.104186 0.250492
H 1.017543 -0.943336 -0.030475
H 2.126014 1.944472 0.200492
H 2.991588 -1.817229 -0.129589
H 4.459319 2.274698 0.176182
H 5.332231 -2.643095 -0.245945
H 6.811418 1.434172 0.058335
H 7.258362 -1.032175 -0.153578
H -4.266644 3.255700 -0.455112
H -3.192831 4.308798 0.547181
H -4.239670 3.069713 1.344869
H -4.247057 -3.223902 -0.173952


