%chk=000051330.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000051330

0 1
 O    2.357500     -0.2841000      0.2336000    
 O    1.010600      0.2627000      -1.556800    
 C   -3.059900      0.7121000      0.1564000    
 C   -1.605100      0.2253000      0.4230000    
 C   -1.183800      -1.126900     -0.2093000    
 C   -3.217200       2.108900      0.7931000    
 C   -3.325100      0.8436000      -1.354100    
 C   -4.113700     -0.2186000      0.7712000    
 C   0.3084000      -1.414400      5.9999999E-02
 C   -2.004600      -2.287900      0.3689000    
 C    1.231400     -0.3719000     -0.5346000    
 C    3.346800      0.6418000     -0.2270000    
 C    4.503400      0.6168000      0.7161000    
 C    5.751200      0.2927000      0.3596000    
 H   -1.442700      0.1723000       1.508700    
 H  -0.9264000       1.008800      6.2799998E-02
 H   -1.329400      -1.092800      -1.294800    
 H   -4.218300       2.519300      0.6178000    
 H   -3.059400       2.066800       1.876800    
 H   -2.493400       2.818800      0.3768000    
 H   -2.572700       1.479800      -1.833300    
 H   -4.307800       1.290900      -1.543100    
 H   -3.312400     -0.1293000      -1.856000    
 H   -4.358900      -1.071300      0.1369000    
 H   -3.820900     -0.5658000       1.767000    
 H   -5.064800      0.3152000      0.8969000    
 H   0.5998000      -2.380800     -0.3675000    
 H   0.4752000      -1.459200       1.143600    
 H   -2.947300      -2.417600     -0.1631000    
 H   -1.475600      -3.238700      0.2293000    
 H   -2.182800      -2.180100       1.442700    
 H    3.654400      0.3691000      -1.243500    
 H    2.919600       1.651200     -0.2420000    
 H    4.309800      0.8836000       1.751800    
 H    6.550000      0.2953000       1.093200    
 H    5.997800      2.0800000E-02 -0.6607000    


%chk=000051330-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000051330

0 1
O 2.033482 -0.544740 0.023962
O 0.767116 -0.914991 -1.901817
C -2.584043 0.843236 0.209593
C -1.607325 -0.166412 0.900339
C -1.398207 -1.542928 0.192948
C -2.775582 2.051718 1.166709
C -1.973635 1.353187 -1.124049
C -3.969222 0.200552 -0.067220
C 0.100027 -1.973195 0.226328
C -2.258595 -2.660360 0.830481
C 0.961919 -1.113829 -0.679451
C 2.966936 0.318689 -0.776257
C 3.623689 1.277431 0.175364
C 4.966044 1.425311 0.295046
H -1.967205 -0.353472 1.933925
H -0.629670 0.348032 1.008302
H -1.677962 -1.450439 -0.875107
H -3.417508 2.824424 0.702788
H -3.252511 1.737686 2.114956
H -1.804077 2.521245 1.413566
H -1.029050 1.900285 -0.939751
H -2.672386 2.045598 -1.630835
H -1.746822 0.527954 -1.823090
H -3.893512 -0.640449 -0.780581
H -4.429773 -0.178057 0.865364
H -4.657628 0.948177 -0.504831
H 0.182104 -3.016232 -0.138803
H 0.495741 -1.940268 1.255918
H -3.325940 -2.381070 0.846465
H -2.163766 -3.610821 0.271927
H -1.945458 -2.847886 1.875888
H 3.699572 -0.338886 -1.276892
H 2.366240 0.831475 -1.551832
H 2.941006 1.896981 0.772796
H 5.402544 2.166911 0.972469
H 5.667158 0.811542 -0.284217


