%chk=000028404.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000028404

0 1
 O    3.642900      0.4880000      0.7767000    
 O    1.792600      0.4070000     -0.6420000    
 O    5.830000      -1.924800      -1.725800    
 O    7.173200     -0.3638000      0.3030000    
 O    3.469000     -0.4844000      -2.741000    
 O    4.933200     -0.4939000       3.014900    
 O  -0.7619000     -5.9000002E-03  0.1939000    
 O   -4.425500      -3.094400      0.5053000    
 O   -5.379900       1.357600     -0.4518000    
 O   -3.362100       3.022800     -0.6157000    
 C    5.337400     -0.6803000      -1.226500    
 C    5.762600     -0.5562000      0.2368000    
 C    3.815400     -0.6431000      -1.365400    
 C    5.058800      0.6255000      0.9082000    
 C    3.213800      0.5238000     -0.5824000    
 C    5.377400      0.7007000       2.398000    
 C    1.150500       1.454900      6.2399998E-02
 C  -0.3343000       1.292400     -2.6799999E-02
 C   -3.062300      0.7125000     -0.1353000    
 C   -2.109800     -0.2727000      0.1369000    
 C   -1.150800       2.320900     -0.2960000    
 C   -2.606000       2.092900     -0.3702000    
 C   -4.432700      0.4093000     -0.1874000    
 C   -4.830200     -0.9206000      4.2800002E-02
 C   -3.852800      -1.873000      0.3109000    
 C   -2.487000      -1.600000      0.3683000    
 C   -6.067400      -1.616800      7.9300001E-02
 C   -5.766300      -2.928700      0.3629000    
 C   -5.927900       2.050200      0.6659000    
 H    5.805100      0.1015000      -1.836400    
 H    5.531400      -1.499200      0.7481000    
 H    3.373500      -1.590000      -1.031000    
 H    5.376700       1.572100      0.4514000    
 H    3.498100       1.480200      -1.042000    
 H    4.841800       1.533600       2.865700    
 H    6.445500      0.8280000       2.592300    
 H    5.410800      -2.641500      -1.219800    
 H    7.454100     -0.5330000       1.217800    
 H    3.876200      -1.220400      -3.229300    
 H    1.428300       1.423100       1.122500    
 H    1.465900       2.421000     -0.3498000    
 H    3.980500     -0.5798000       2.839300    
 H  -0.7829000       3.326700     -0.4629000    
 H   -1.761100      -2.376500      0.5808000    
 H   -7.056800      -1.212400     -8.1400000E-02
 H   -6.362400      -3.820300      0.4902000    
 H   -5.145400       2.402800       1.345600    
 H   -6.619100       1.397000       1.207200    
 H   -6.484600       2.915000      0.2946000    


%chk=000028404-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000028404

0 1
O 3.472494 0.224426 0.815842
O 1.836540 0.808974 -0.755135
O 5.961760 -0.998667 -2.336116
O 7.014900 -0.971237 0.335852
O 3.879108 0.926599 -2.833781
O 4.329873 -1.822054 2.619876
O -0.779522 0.327688 0.613031
O -4.138752 -2.940119 1.856143
O -5.651544 0.770138 -0.506346
O -3.459982 2.363642 -1.837403
C 5.425695 -0.156450 -1.262825
C 5.566514 -0.817151 0.110730
C 3.954470 0.100198 -1.631443
C 4.907559 0.096539 1.169296
C 3.238611 0.868033 -0.509479
C 4.921858 -0.482061 2.587121
C 1.057928 1.770129 0.065294
C -0.398559 1.457530 -0.106814
C -3.147686 0.650296 -0.113348
C -2.124300 -0.106141 0.576449
C -1.293234 2.156210 -0.868707
C -2.707679 1.773832 -0.988471
C -4.502703 0.170758 -0.013621
C -4.739369 -1.066091 0.641003
C -3.661221 -1.769720 1.244549
C -2.341058 -1.312993 1.262894
C -5.939555 -1.842532 0.900137
C -5.544375 -2.950205 1.616028
C -5.872891 2.230202 -0.399553
H 5.969040 0.815156 -1.241614
H 5.059199 -1.802217 0.121044
H 3.446294 -0.875425 -1.777227
H 5.403485 1.093249 1.164546
H 3.615159 1.917227 -0.456737
H 4.385557 0.210945 3.266584
H 5.957959 -0.599263 2.945807
H 6.895161 -1.228186 -2.091160
H 7.164987 -1.702506 0.985140
H 4.407381 0.465571 -3.535875
H 1.349221 1.663632 1.127601
H 1.260765 2.800780 -0.284128
H 3.415388 -1.746557 2.241483
H -0.957808 3.008362 -1.464367
H -1.521935 -1.835790 1.757581
H -6.947992 -1.598500 0.577407
H -6.067773 -3.811169 2.022155
H -5.406007 2.738995 -1.255211
H -5.449061 2.613398 0.547509
H -6.968401 2.340324 -0.398944


