%chk=000085741.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000085741

0 1
 O  -0.5129000     -0.2153000      1.4600000E-02
 O   -2.297600      -1.677200      4.6500001E-02
 C    1.822000     -0.7734000      5.0200000E-02
 C   0.3951000      -1.317300      5.6200001E-02
 C    2.124300     -2.6300000E-02  -1.252600    
 C    2.059700      0.1473000       1.257900    
 C    3.572500      0.4723000      -1.282200    
 C    4.031100       1.082200      1.8700000E-02
 C    3.330100      0.9399000       1.156700    
 C   0.1231000      -2.122600       1.326500    
 C   0.1392000      -2.170300      -1.184900    
 C    5.315800       1.855000     -3.0099999E-02
 C   -1.840500     -0.5430000      1.4500000E-02
 C   -2.659800      0.7267000     -2.9700000E-02
 C   -4.160100      0.4393000     -5.5500001E-02
 C   -4.974100       1.732500     -6.0100000E-02
 C   -6.467900       1.450400     -4.6900000E-02
 H    2.525000      -1.616900      0.1196000    
 H    1.449800      0.8331000      -1.362600    
 H    1.979200     -0.6583000      -2.134500    
 H    2.114100     -0.4563000       2.171700    
 H    1.237900      0.8601000       1.393700    
 H    3.668900       1.206000      -2.091500    
 H    4.239500     -0.3643000      -1.525500    
 H    3.681700       1.411000       2.071000    
 H  -0.7287000      -2.804500       1.250500    
 H   0.9801000      -2.761300       1.571700    
 H  -7.2999999E-02  -1.471000       2.185800    
 H  -8.8000000E-02  -1.561400      -2.067600    
 H  -0.6934000      -2.871800      -1.072600    
 H    1.008000      -2.800100      -1.412200    
 H    5.225200       2.699600     -0.7208000    
 H    6.132300       1.211000     -0.3728000    
 H    5.595500       2.254400      0.9504000    
 H   -2.411200       1.321200      0.8566000    
 H   -2.375900       1.286900     -0.9275000    
 H   -4.407400     -0.1588000     -0.9414000    
 H   -4.434100     -0.1650000      0.8185000    
 H   -4.726200       2.324900     -0.9485000    
 H   -4.716600       2.338400      0.8164000    
 H   -6.765300      0.8707000     -0.9266000    
 H   -6.753200      0.8881000      0.8480000    
 H   -7.030900       2.388900     -5.2099999E-02


%chk=000085741-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000085741

0 1
O -0.563168 -0.431295 0.196233
O -2.451291 -1.814310 0.381268
C 1.822954 -0.822338 0.038279
C 0.456144 -1.570209 0.162736
C 1.931919 0.070892 -1.224277
C 2.157436 0.027492 1.293311
C 3.366421 0.618834 -1.397402
C 3.939554 1.196942 -0.110018
C 3.362965 0.929264 1.093629
C 0.357321 -2.376280 1.476202
C 0.168768 -2.469581 -1.058826
C 5.170722 2.070896 -0.248866
C -1.928892 -0.675304 0.319101
C -2.690799 0.643427 0.386612
C -4.122243 0.539223 -0.182940
C -4.939398 1.830741 0.042922
C -6.364038 1.741428 -0.545134
H 2.589554 -1.623509 -0.046656
H 1.219087 0.910298 -1.121559
H 1.647567 -0.490538 -2.132807
H 2.352452 -0.632871 2.161153
H 1.269954 0.637387 1.563520
H 3.373993 1.400043 -2.185441
H 4.039401 -0.184645 -1.769106
H 3.790176 1.379855 2.001899
H -0.577331 -2.957389 1.506287
H 1.212543 -3.074163 1.543778
H 0.385588 -1.713423 2.356943
H 0.042692 -1.874382 -1.978574
H -0.748527 -3.057022 -0.898910
H 1.015635 -3.164157 -1.211750
H 4.959564 2.965413 -0.868877
H 5.992009 1.524476 -0.755300
H 5.544638 2.414103 0.731705
H -2.741389 0.938527 1.455728
H -2.102573 1.426127 -0.124180
H -4.072898 0.317116 -1.267666
H -4.634114 -0.321678 0.286802
H -4.405444 2.691750 -0.408975
H -4.999723 2.038306 1.131284
H -6.331718 1.567888 -1.637215
H -6.928077 0.905742 -0.090114
H -6.934136 2.671725 -0.367299


