%chk=000045476.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000045476

0 1
 O   -2.348500      -1.087300     -0.4754000    
 O    1.546900     -0.4107000      0.2189000    
 O    2.062400      -2.633700      0.5949000    
 C  -0.2065000      -1.979400      0.4309000    
 C   -1.021900      -1.559500     -0.7568000    
 C  -0.7721000      -3.015800     -0.4953000    
 C    1.257500      -1.728900      0.4267000    
 C   -2.415400      0.3288000     -0.3020000    
 C   -3.853200      0.7187000      9.9999998E-03
 C    2.927900     -7.6700002E-02  0.1995000    
 C   -4.001300       2.226500      0.1924000    
 C    3.068500       1.419700     -4.1200001E-02
 C    4.532500       1.847500     -9.0099998E-02
 C   -5.446100       2.616000      0.4611000    
 C    4.669200       3.334800     -0.3735000    
 H  -0.6686000      -1.910000       1.410600    
 H  -0.5120000      -1.135600      -1.615800    
 H   -1.594700      -3.620500     -0.1330000    
 H  -0.1006000      -3.538000      -1.166400    
 H   -1.753300      0.6246000      0.5199000    
 H   -2.078000      0.8184000      -1.222700    
 H   -4.186000      0.1916000      0.9129000    
 H   -4.506200      0.3681000     -0.7992000    
 H    3.382700     -0.3465000       1.159900    
 H    3.425900     -0.6343000     -0.6025000    
 H   -3.651900       2.746900     -0.7069000    
 H   -3.375000       2.563800       1.026400    
 H    2.538300       1.967600      0.7479000    
 H    2.564200       1.683700     -0.9793000    
 H    5.020400       1.615100      0.8636000    
 H    5.059600       1.285000     -0.8697000    
 H   -6.093100       2.322700     -0.3717000    
 H   -5.528900       3.699800      0.5900000    
 H   -5.818700       2.136100       1.371700    
 H    4.178400       3.928800      0.4040000    
 H    5.725500       3.619600     -0.4026000    
 H    4.221000       3.593300      -1.338200    


%chk=000045476-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000045476

0 1
O -2.650409 -1.219005 0.064861
O 1.887082 -0.092223 0.291185
O 1.527336 -1.788928 -1.279122
C -0.116035 -1.358692 0.470334
C -1.389321 -1.716308 -0.374117
C -0.744850 -2.778829 0.466964
C 1.148912 -1.143622 -0.266087
C -2.938367 0.142281 -0.440595
C -4.328299 0.540981 0.059682
C 3.178648 0.228953 -0.386896
C -4.739646 1.953700 -0.417217
C 3.791914 1.415619 0.356173
C 5.149074 1.837397 -0.256322
C -6.140959 2.360149 0.087443
C 5.775815 3.041908 0.477997
H -0.278950 -0.740543 1.355865
H -1.235792 -1.747311 -1.463088
H -1.261714 -3.073476 1.383898
H -0.182044 -3.561734 -0.047753
H -2.159973 0.843484 -0.069824
H -2.901216 0.138079 -1.552229
H -4.336387 0.498778 1.166047
H -5.064100 -0.206678 -0.294116
H 3.826223 -0.667158 -0.351805
H 2.972038 0.460128 -1.448701
H -4.721464 1.989701 -1.525655
H -3.991652 2.694524 -0.067945
H 3.928557 1.147968 1.421634
H 3.086334 2.268343 0.326902
H 5.850799 0.979235 -0.225872
H 5.009401 2.088684 -1.327415
H -6.911553 1.652879 -0.272305
H -6.418550 3.370899 -0.263205
H -6.178401 2.362570 1.192919
H 5.953704 2.807546 1.544265
H 6.743981 3.327691 0.028208
H 5.108766 3.923209 0.434891


