%chk=000043837.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000043837

0 1
 O    1.797600      -1.155500      0.9902000    
 O  -0.1230000       5.252900     -0.3453000    
 O   0.1468000       3.342100      -1.541400    
 C    4.028600      -1.600900      0.2431000    
 C    5.375800     -0.9952000     -0.1446000    
 C    3.029300     -0.5301000      0.6573000    
 C    6.359700      -2.072700     -0.5994000    
 C   0.6573000     -0.4215000      0.7907000    
 C   -1.693400     -0.3223000      0.2790000    
 C  -0.4580000       1.710400      0.7019000    
 C  -0.5328000      -1.069500      0.4801000    
 C   0.7025000      0.9633000      0.9028000    
 C   -1.656100       1.067500      0.3899000    
 C    7.691300      -1.470200      -1.018500    
 C   -2.936000     -0.9895000     -4.3499999E-02
 C  -0.4181000       3.196300      0.8230000    
 C   -3.794100      -1.397900      0.9776000    
 C   -3.276400      -1.224100      -1.375700    
 C  -0.1018000       3.900700     -0.4818000    
 C   -4.992200      -2.041000      0.6668000    
 C   -4.474500      -1.867100      -1.686700    
 C   -5.332400      -2.275600     -0.6655000    
 H    4.156300      -2.317900       1.063700    
 H    3.615600      -2.175600     -0.5955000    
 H    5.232200     -0.2676000     -0.9529000    
 H    5.794600     -0.4499000      0.7098000    
 H    3.404200      1.4400000E-02   1.531700    
 H    2.916000      0.1650000     -0.1850000    
 H    6.527500      -2.790000      0.2125000    
 H    5.937900      -2.630800      -1.443400    
 H  -0.5487000      -2.153900      0.3969000    
 H    1.614800       1.488100       1.171100    
 H   -2.559100       1.654000      0.2322000    
 H    8.380000      -2.258400      -1.338400    
 H    8.155800     -0.9295000     -0.1877000    
 H    7.561500     -0.7734000      -1.852700    
 H   0.3363000       3.491900       1.562000    
 H   -1.386100       3.564700       1.184100    
 H   -3.544200      -1.222900       2.021500    
 H   -2.619100     -0.9122000      -2.184100    
 H   -5.660300      -2.359100       1.461800    
 H   -4.739600      -2.049700      -2.724000    
 H   -6.265300      -2.776200     -0.9076000    
 H   8.2199998E-02   5.708300      -1.189600    


%chk=000043837-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000043837

0 1
O 1.753400 -1.133015 0.014434
O -0.604776 4.748530 -1.310492
O 1.491359 4.033594 -0.615869
C 4.127162 -1.584639 -0.101872
C 5.568684 -1.028484 -0.040865
C 3.079362 -0.484703 0.076068
C 6.639993 -2.127085 -0.227941
C 0.619078 -0.317669 0.129983
C -1.837379 -0.279145 0.125686
C -0.553677 1.806241 0.405223
C -0.621129 -0.993999 0.038537
C 0.663147 1.084165 0.314335
C -1.788547 1.133304 0.310065
C 8.080812 -1.576577 -0.164082
C -3.146734 -0.989054 0.024130
C -0.524201 3.320886 0.636961
C -3.306820 -2.306965 0.534516
C -4.269971 -0.366288 -0.587186
C 0.250518 4.043561 -0.453322
C -4.543808 -2.978787 0.436399
C -5.508539 -1.035611 -0.684307
C -5.652512 -2.346433 -0.173123
H 3.982765 -2.348274 0.686532
H 3.956865 -2.088721 -1.072594
H 5.703864 -0.252131 -0.822779
H 5.733487 -0.522167 0.933299
H 3.198031 0.023512 1.056088
H 3.157558 0.276389 -0.728022
H 6.503952 -2.904268 0.551403
H 6.476892 -2.631412 -1.201957
H -0.608683 -2.073953 -0.137299
H 1.611725 1.625753 0.371113
H -2.721197 1.699066 0.409362
H 8.826953 -2.381072 -0.298274
H 8.277722 -1.092324 0.811090
H 8.252851 -0.821102 -0.953878
H -0.016832 3.541544 1.594738
H -1.547884 3.722200 0.681757
H -2.464229 -2.796268 1.036081
H -4.163739 0.636303 -1.016839
H -4.645560 -3.991110 0.843604
H -6.357659 -0.539175 -1.167549
H -6.613483 -2.867312 -0.248682
H -0.066219 5.182095 -2.028071


