%chk=000108786.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000108786

0 1
 O   -1.677500     -0.4332000     -0.7698000    
 O    1.719200     -0.2356000      0.6398000    
 O    3.323400      -1.173300     -0.7328000    
 C  -0.6786000     -8.2999999E-03  0.2033000    
 C  -0.7783000       1.577800      0.3098000    
 C   0.7184000     -0.4813000     -0.3515000    
 C   -1.065200     -0.7225000       1.521700    
 C  -0.3695000       2.217300      -1.044100    
 C    1.097900      0.2701000      -1.646700    
 C    1.010000       1.783300      -1.519700    
 C   -2.472400      -1.226900       1.292600    
 C   -2.497400      -1.461400     -0.1993000    
 C   -2.227700       2.045400      0.5961000    
 C   0.1003000       2.187900       1.430100    
 C   0.7869000      -1.987500     -0.6781000    
 C   -3.888700      -1.400800     -0.8000000    
 C    2.981300     -0.6354000      0.3115000    
 C    3.918000     -0.3158000       1.437000    
 H   -1.005000     -9.8800004E-02   2.415300    
 H  -0.4133000      -1.580400       1.716600    
 H  -0.3867000       3.312400     -0.9675000    
 H   -1.106300       1.957400      -1.815900    
 H   0.4000000     -3.6499999E-02  -2.439200    
 H    2.085700      3.8400002E-02  -2.047900    
 H    1.208600       2.238400      -2.497600    
 H    1.789800       2.153700     -0.8459000    
 H   -2.698600      -2.131600       1.864800    
 H   -3.199500     -0.4626000       1.585400    
 H   -2.056300      -2.435500     -0.4328000    
 H   -2.568900       1.719200       1.583200    
 H   -2.934500       1.675000     -0.1530000    
 H   -2.295500       3.140100      0.5842000    
 H  -0.2034000       1.849300       2.424700    
 H   1.1200000E-02   3.281600       1.434900    
 H    1.162500       1.967400       1.315700    
 H   0.8829000      -2.600700      0.2242000    
 H  -0.1022000      -2.315700      -1.221500    
 H    1.595500      -2.280400      -1.352500    
 H   -3.841300      -1.549000      -1.884100    
 H   -4.540200      -2.167000     -0.3693000    
 H   -4.346700     -0.4190000     -0.6388000    
 H    3.609400     -0.8506000       2.338700    
 H    3.929800      0.7628000       1.613400    
 H    4.928900     -0.6367000       1.169800    


%chk=000108786-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000108786

0 1
O -1.715166 -0.400644 -0.795709
O 1.747070 -0.265703 0.588138
O 3.592098 -1.057340 -0.638276
C -0.644004 0.003990 0.175460
C -0.725647 1.588789 0.292969
C 0.697885 -0.523129 -0.490084
C -0.990932 -0.734322 1.508442
C -0.380730 2.225920 -1.088558
C 1.027355 0.252781 -1.787603
C 0.992723 1.782988 -1.628810
C -2.424705 -1.295475 1.315464
C -2.551956 -1.484976 -0.210342
C -2.170644 2.014763 0.670190
C 0.225755 2.172645 1.377358
C 0.672529 -2.036434 -0.785879
C -3.963322 -1.358525 -0.785839
C 3.094590 -0.569792 0.403509
C 3.869858 -0.220269 1.661394
H -0.935709 -0.056713 2.374171
H -0.272320 -1.548231 1.698780
H -0.421185 3.328760 -0.985677
H -1.164072 1.934683 -1.816020
H 0.249959 -0.045193 -2.517894
H 2.000679 -0.094422 -2.173431
H 1.182923 2.254890 -2.611886
H 1.805511 2.120032 -0.956506
H -2.583669 -2.240438 1.864576
H -3.179108 -0.565668 1.660666
H -2.113574 -2.463650 -0.504429
H -2.456122 1.666149 1.680486
H -2.899935 1.624508 -0.059076
H -2.236443 3.119266 0.673662
H -0.025977 1.803883 2.388255
H 0.113749 3.273733 1.390717
H 1.282245 1.929888 1.193456
H 0.515104 -2.641811 0.123088
H -0.137433 -2.251203 -1.501899
H 1.629964 -2.337963 -1.239971
H -3.943839 -1.423905 -1.887763
H -4.609244 -2.169686 -0.401884
H -4.411015 -0.389132 -0.503130
H 3.479678 -0.793260 2.520488
H 3.747881 0.850821 1.900553
H 4.935192 -0.449604 1.513643


