%chk=000052228.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000052228

0 1
 O   -3.079100     -0.9391000     -0.4868000    
 O  -0.4654000      -2.192600     -0.2830000    
 O    1.914700      -1.740100      0.8421000    
 O    6.409200     -2.1800000E-02 -0.9218000    
 O    5.247100       1.795400     -0.2043000    
 C   -2.208300       1.043400      0.1576000    
 C   -1.938400     -0.2945000     -0.1117000    
 C   -3.599600       1.210000     -7.1000002E-02
 C  -0.6751000     -0.8735000     -6.6999998E-03
 C   0.3638000     -2.9400000E-02  0.3965000    
 C   -4.078900     -1.9600000E-02 -0.4591000    
 C   -1.148500       1.874000      0.5617000    
 C   0.1340000       1.320100      0.6763000    
 C    1.718500     -0.5488000      0.5310000    
 C    2.922100      0.3770000      0.2857000    
 C   -4.379700       2.453600      7.6499999E-02
 C   -5.413500     -0.5085000     -0.8357000    
 C    4.158400     -0.3598000     -0.2166000    
 C   -1.185800      -3.139900      0.5018000    
 C    5.304400      0.5942000     -0.4326000    
 H   -1.311000       2.923700      0.7871000    
 H   0.9357000       1.975700       1.007200    
 H    2.642200       1.134800     -0.4559000    
 H    3.143200      0.8881000       1.230400    
 H   -5.300900       2.424400     -0.5146000    
 H   -4.653300       2.608500       1.125100    
 H   -3.802800       3.321800     -0.2584000    
 H   -5.450400      -1.602500     -0.8479000    
 H   -6.169600     -0.1568000     -0.1268000    
 H   -5.683900     -0.1486000      -1.833100    
 H    4.473300      -1.113600      0.5132000    
 H    3.933900     -0.8608000      -1.164700    
 H   -1.270000      -2.816900       1.545100    
 H  -0.6377000      -4.086100      0.4778000    
 H   -2.178300      -3.309100      7.4800000E-02
 H    7.147200      0.6087000      -1.064000    


%chk=000052228-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000052228

0 1
O -3.205583 -1.076504 -0.035139
O -0.398162 -2.333872 0.041525
O 2.158828 -1.725163 0.646884
O 6.694676 0.174319 -0.399876
O 5.469743 1.733185 0.802964
C -2.201402 1.006847 0.076330
C -1.963464 -0.393707 0.046766
C -3.645167 1.197953 0.012098
C -0.675974 -0.981236 0.097575
C 0.436627 -0.067203 0.183079
C -4.210673 -0.065020 -0.051806
C -1.102692 1.898995 0.152339
C 0.183304 1.344322 0.197037
C 1.849079 -0.549767 0.290618
C 2.973448 0.465752 -0.019985
C -4.351634 2.526686 0.017260
C -5.612567 -0.571196 -0.130096
C 4.331667 -0.232249 -0.190033
C -1.487732 -3.320583 -0.098061
C 5.495760 0.675294 0.132315
H -1.249878 2.982449 0.179588
H 1.038401 2.021617 0.269084
H 2.719159 1.060779 -0.915648
H 3.051071 1.185902 0.820141
H -5.446958 2.409931 -0.041203
H -4.123928 3.096506 0.937838
H -4.034882 3.150628 -0.839701
H -5.853565 -1.219202 0.732851
H -6.324487 0.269886 -0.138083
H -5.773199 -1.168461 -1.046693
H 4.365538 -1.107939 0.491232
H 4.464565 -0.647575 -1.203719
H -2.175015 -3.275879 0.763218
H -0.966231 -4.288193 -0.124696
H -2.054199 -3.159252 -1.031283
H 7.443027 0.773350 -0.129521


