%chk=000006819.chk
%nprocshared=8
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000006819

0 1
 O   -1.936800       1.512100     -0.7897000    
 O    3.348400     -0.5789000      0.4390000    
 O  -0.2181000     -0.8920000      0.4949000    
 O   -1.653300      1.6300000E-02  -2.516400    
 O   -1.215000      0.1256000       2.303200    
 O    1.891300      -1.641600      -1.001700    
 C   -1.069400       3.738000     -0.6264000    
 C    5.739300     -0.4497000      0.2396000    
 C  -0.4104000       3.463800      0.7225000    
 C    6.961300     -0.8254000     -0.5938000    
 C   -1.154000       2.478500      -1.476900    
 C    4.452800     -0.9770000     -0.3798000    
 C  -0.2890000       4.732500       1.551300    
 C    8.239200     -0.2604000      4.9999999E-03
 C   -2.941700     -0.5978000     -0.6066000    
 C   -2.544000     -0.9938000      0.6705000    
 C   -2.108400      0.3192000      -1.424400    
 C   -4.143500      -1.065100      -1.138900    
 C   -3.347900      -1.856900       1.415100    
 C   -1.294100     -0.5236000       1.253700    
 C    1.071800     -0.4881000      0.9669000    
 C    2.118800     -0.9836000      4.4000000E-03
 C   -4.947500      -1.928200     -0.3941000    
 C   -4.549700      -2.324000      0.8827000    
 H  -0.5064000       4.504500      -1.170900    
 H   -2.080200       4.127700     -0.4543000    
 H    5.839600     -0.8405000       1.259900    
 H    5.670300      0.6406000      0.3423000    
 H  -0.9924000       2.729700       1.289700    
 H   0.5888000       3.040500      0.5694000    
 H    6.846700     -0.4455000      -1.615700    
 H    7.045200      -1.916300     -0.6607000    
 H  -0.1502000       2.078400      -1.662300    
 H   -1.626600       2.717500      -2.436500    
 H    4.322000     -0.5640000      -1.386900    
 H    4.483700      -2.071300     -0.4386000    
 H   0.3193000       5.482000       1.035000    
 H   0.1864000       4.513100       2.512500    
 H   -1.273900       5.166600       1.750600    
 H    8.200300      0.8324000      5.3300001E-02
 H    9.101700     -0.5428000     -0.6069000    
 H    8.400800     -0.6439000       1.017500    
 H   -4.465500     -0.7630000      -2.132100    
 H   -3.049200      -2.174700       2.410800    
 H    1.116600      0.6044000       1.007600    
 H    1.254600     -0.9339000       1.949800    
 H   -5.883300      -2.291800     -0.8084000    
 H   -5.175500      -2.996300       1.462300    


%chk=000006819-Freq.chk
%nprocshared=8
%mem=21GB
#p freq=noraman PBEPBE/SDD

000006819

0 1
O -1.750791 1.216857 -0.871565
O 3.285549 -0.483209 0.601536
O -0.253704 -0.739291 0.688706
O -2.044304 -0.126637 -2.760880
O -1.353499 0.106153 2.567578
O 1.803379 0.590095 -0.843785
C -0.954855 3.521240 -0.898356
C 5.691342 -0.722541 0.302986
C -0.246712 3.438364 0.473519
C 6.933149 -0.430265 -0.573645
C -0.962216 2.205757 -1.678089
C 4.418848 -0.154333 -0.322523
C -0.218447 4.798223 1.202783
C 8.230773 -0.995469 0.042247
C -2.935588 -0.830386 -0.600063
C -2.637497 -0.969608 0.784413
C -2.181511 0.074570 -1.529790
C -4.057158 -1.505775 -1.139907
C -3.507611 -1.718182 1.615728
C -1.402941 -0.433518 1.438631
C 1.027745 -0.360802 1.314264
C 2.027978 -0.030027 0.216691
C -4.901057 -2.276557 -0.313314
C -4.636862 -2.366566 1.072736
H -0.443326 4.276414 -1.530979
H -1.996616 3.872648 -0.761065
H 5.576803 -1.815034 0.438633
H 5.832315 -0.284666 1.309846
H -0.764598 2.689265 1.102054
H 0.788170 3.070466 0.320014
H 7.036989 0.664752 -0.715014
H 6.783737 -0.863443 -1.583387
H 0.048955 1.780117 -1.797814
H -1.444413 2.301464 -2.667597
H 4.461905 0.944527 -0.441085
H 4.197255 -0.600852 -1.309204
H 0.317379 5.561641 0.606530
H 0.285925 4.719546 2.183374
H -1.244021 5.172244 1.382921
H 8.420371 -0.557081 1.039885
H 9.105974 -0.776312 -0.595630
H 8.167027 -2.092917 0.164003
H -4.258346 -1.400330 -2.210671
H -3.279119 -1.796017 2.683470
H 0.876124 0.515917 1.972691
H 1.395471 -1.200672 1.925873
H -5.766894 -2.790063 -0.744301
H -5.298175 -2.946410 1.725053


