%chk=000038780.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000038780

0 1
 O   -2.972800     -6.7699999E-02  0.8241000    
 O   -2.185900       1.987600      0.1977000    
 O    1.859300      -2.220200      0.2334000    
 O    1.979400      -1.219100      -1.836000    
 C  -0.7776000      2.9000000E-03 -7.0600003E-02
 C   -1.005900      -1.316300      0.6743000    
 C   -2.515400      -1.423300      0.7407000    
 C  -0.8709000     -0.2043000      -1.595200    
 C   0.5118000      0.6749000      0.3993000    
 C   -2.022600      0.7826000      0.3244000    
 C   -3.008000      -2.204400       1.945100    
 C    1.759300      0.1100000      0.1312000    
 C   0.4285000       1.874500       1.107300    
 C  -0.7255000       1.092800      -2.328200    
 C    2.921700      0.7441000      0.5702000    
 C    1.590800       2.508600       1.546200    
 C    1.876400      -1.140900     -0.6059000    
 C    2.837300       1.943400       1.277700    
 C   -1.648600       1.586700      -3.161000    
 C    1.969000      -3.511800     -0.3746000    
 H  -0.5836000      -1.274000       1.687100    
 H  -0.5955000      -2.196800      0.1749000    
 H   -2.929800      -1.864600     -0.1731000    
 H   -1.856900     -0.6251000      -1.841800    
 H  -0.1817000     -0.9401000      -1.995800    
 H   -4.103000      -2.217400       1.966800    
 H   -2.645400      -3.236300       1.923400    
 H   -2.683800      -1.735000       2.880300    
 H  -0.4846000       2.353100       1.427700    
 H   0.2043000       1.644300      -2.217300    
 H    3.898800      0.3130000      0.3679000    
 H    1.526500       3.433900       2.111400    
 H    3.742100       2.435000       1.623000    
 H   -1.473400       2.521600      -3.682000    
 H   -2.588600       1.075500      -3.336800    
 H    2.946100      -3.616600     -0.8551000    
 H    1.164100      -3.661000      -1.100400    
 H    1.878500      -4.266400      0.4110000    


%chk=000038780-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000038780

0 1
O -3.182554 0.019411 0.857078
O -2.320896 2.123465 0.538820
O 2.740069 -2.295604 0.453873
O 1.146177 -2.030520 -1.205341
C -0.938855 0.076860 -0.086060
C -1.245563 -1.353156 0.463135
C -2.778125 -1.408716 0.625014
C -1.101472 0.093989 -1.668477
C 0.446426 0.626593 0.336970
C -2.150581 0.893339 0.470725
C -3.291221 -2.251059 1.789463
C 1.649273 -0.165859 0.342773
C 0.561863 1.973955 0.773578
C -0.974684 1.452042 -2.318458
C 2.867406 0.391857 0.827685
C 1.781341 2.520232 1.226769
C 1.765192 -1.548294 -0.221278
C 2.944043 1.723994 1.269452
C -1.889713 1.992508 -3.160457
C 3.011467 -3.641875 -0.104696
H -0.762538 -1.488302 1.449425
H -0.890881 -2.143924 -0.212668
H -3.268924 -1.711294 -0.320071
H -2.081055 -0.352369 -1.928047
H -0.316097 -0.586105 -2.048739
H -4.389570 -2.184381 1.868706
H -3.016828 -3.311275 1.637412
H -2.850367 -1.906474 2.741201
H -0.331595 2.602274 0.764575
H -0.049868 2.007970 -2.105972
H 3.757150 -0.242833 0.837959
H 1.812191 3.565983 1.552053
H 3.894047 2.131551 1.630497
H -1.729561 2.969040 -3.630451
H -2.831508 1.480848 -3.396188
H 3.350071 -3.562465 -1.151458
H 2.100621 -4.262580 -0.067228
H 3.799520 -4.055625 0.539725


