%chk=000102778.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000102778

0 1
 O   -3.062600      -1.143700      0.8451000    
 C  -0.6097000       1.016600      0.1038000    
 C  -0.5564000       2.549600      0.3737000    
 C   -1.662500      0.5929000     -0.9490000    
 C   -1.790900     -0.9127000      -1.173900    
 C   0.3631000       2.883400       1.556500    
 C  -0.1529000       3.389100     -0.8427000    
 C   0.7346000      0.4521000     -0.3182000    
 C   -2.272900      -1.659100      5.3599998E-02
 C    1.407000     -0.4688000      0.3921000    
 C    2.695100      -1.054900      4.5699999E-02
 C   -1.737000      -3.048500      0.2786000    
 C    3.388500     -0.6251000      -1.217300    
 C    3.256700      -1.971000      0.8521000    
 H  -0.9030000      0.5508000       1.054900    
 H   -1.570500       2.861000      0.6594000    
 H   -2.637400      0.9994000     -0.6506000    
 H   -1.423900       1.050700      -1.917100    
 H   -2.521600      -1.103400      -1.968700    
 H  -0.8413000      -1.342200      -1.507900    
 H   8.0300003E-02   2.308200       2.444400    
 H    1.412500       2.669500       1.329200    
 H   0.2885000       3.945900       1.812700    
 H  -0.1983000       4.456600     -0.5994000    
 H   0.8686000       3.172300      -1.170200    
 H  -0.8283000       3.223100      -1.686600    
 H    1.139300      0.8208000      -1.257000    
 H   0.9620000     -0.8191000       1.322300    
 H  -0.6578000      -3.003900      0.4417000    
 H   -2.212200      -3.489100       1.159400    
 H   -1.962000      -3.671000     -0.5910000    
 H    3.599000      0.4497000      -1.198400    
 H    4.346200      -1.139600      -1.355200    
 H    2.771800     -0.8499000      -2.094300    
 H    4.215700      -2.420000      0.6136000    
 H    2.778600      -2.299400       1.769900    


%chk=000102778-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000102778

0 1
O -3.068794 -0.949633 1.026077
C -0.517031 0.934772 0.095422
C -0.546672 2.483746 0.365971
C -1.600524 0.530648 -0.951689
C -1.801186 -0.992781 -1.068880
C 0.297405 2.845404 1.610038
C -0.111936 3.337263 -0.850987
C 0.851747 0.439146 -0.325103
C -2.487919 -1.634958 0.141773
C 1.640385 -0.402127 0.408422
C 2.971716 -0.904437 0.017080
C -2.430781 -3.156595 0.223365
C 3.556874 -0.468830 -1.316377
C 3.657684 -1.745863 0.850280
H -0.789975 0.449180 1.054055
H -1.606909 2.728705 0.590150
H -2.561141 0.994181 -0.655648
H -1.329265 0.933047 -1.947462
H -2.431638 -1.232454 -1.952693
H -0.836605 -1.510808 -1.244030
H -0.052404 2.295941 2.504136
H 1.362007 2.591011 1.451634
H 0.233086 3.927741 1.829088
H -0.240293 4.412893 -0.628909
H 0.955606 3.175582 -1.091240
H -0.706848 3.111244 -1.754682
H 1.210929 0.787920 -1.306035
H 1.270013 -0.744980 1.387455
H -1.430099 -3.462256 0.588110
H -3.189651 -3.533590 0.926862
H -2.567398 -3.621585 -0.769818
H 3.663020 0.631897 -1.363617
H 4.551313 -0.916559 -1.480581
H 2.902220 -0.767654 -2.157521
H 4.648394 -2.135285 0.591164
H 3.240972 -2.059626 1.815390


