%chk=000066398.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000066398

0 1
 O    4.661300     -0.6933000     -0.6765000    
 O   -5.517900     -0.8407000       1.324400    
 C    1.436300      0.7693000      0.2466000    
 C    2.240000     -0.2344000     -0.6110000    
 C   4.6799999E-02   1.060500     -0.3263000    
 C  -0.7593000     -0.2815000     -0.4030000    
 C    1.464500      -1.564400     -0.6482000    
 C    3.601500     -0.2271000      0.1482000    
 C    2.406700       1.931300      0.4412000    
 C   2.2900000E-02  -1.380000      -1.158900    
 C   -2.161400      4.6000001E-03  -1.005400    
 C    3.801100       1.273200      0.4902000    
 C  -0.7098000       2.119400      0.5005000    
 C    2.465400      0.2387000      -2.077800    
 C   -2.133900       2.340300     -1.8100001E-02
 C   -2.844600       1.016400     -0.1023000    
 C   -3.058500      -1.218000      -1.250700    
 C    3.589600      -1.032200       1.385600    
 C   -3.709600      -1.729200      2.2500001E-02
 C   -3.931900      0.7540000      0.6386000    
 C   -4.489500     -0.6198000      0.6884000    
 C    3.580300      -1.686900       2.391700    
 H    1.272100      0.3334000       1.245100    
 H   0.1472000       1.468400      -1.339800    
 H  -0.8943000     -0.6475000      0.6265000    
 H    1.398700      -2.006300      0.3527000    
 H    1.985800      -2.297300      -1.275600    
 H    2.197600       2.484100       1.363000    
 H    2.352800       2.643400     -0.3898000    
 H   2.8700000E-02  -1.161400      -2.232700    
 H  -0.4876000      -2.343000      -1.044100    
 H   -2.013800      0.4711000      -1.990400    
 H    4.466200       1.762500     -0.2317000    
 H    4.256100       1.416600       1.477800    
 H  -0.1721000       3.074300      0.4719000    
 H  -0.7488000       1.808200       1.552700    
 H    3.043000       1.166600      -2.135400    
 H    3.015300     -0.5193000      -2.647800    
 H    1.531900      0.4170000      -2.617200    
 H   -2.107200       2.804100      -1.011500    
 H   -2.656400       3.039600      0.6450000    
 H   -2.518900      -2.025900      -1.753000    
 H   -3.855900     -0.9202000      -1.947000    
 H    4.447900      -1.600400     -0.9553000    
 H   -2.967200      -2.112600      0.7300000    
 H   -4.402400      -2.540500     -0.2258000    
 H   -4.388300       1.500100       1.279400    
 H    3.571200      -2.267800       3.284100    


%chk=000066398-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000066398

0 1
O 4.772056 -0.691991 -0.652192
O -5.557400 -0.884110 1.478964
C 1.435121 0.781355 0.217053
C 2.236745 -0.238406 -0.650134
C 0.028852 1.069990 -0.344956
C -0.771019 -0.274745 -0.417976
C 1.455762 -1.572120 -0.701700
C 3.608599 -0.240277 0.148288
C 2.424960 1.959053 0.430487
C 0.002997 -1.361201 -1.212431
C -2.201653 0.009693 -1.010778
C 3.834533 1.281003 0.461484
C -0.724180 2.131862 0.492242
C 2.520934 0.271273 -2.087320
C -2.173762 2.368044 -0.030447
C -2.881087 1.034111 -0.109026
C -3.110704 -1.221173 -1.251104
C 3.537568 -1.046596 1.387022
C -3.761759 -1.744764 0.047991
C -3.967540 0.726455 0.670354
C -4.529947 -0.636602 0.775022
C 3.528928 -1.735755 2.410096
H 1.285754 0.298467 1.209443
H 0.126350 1.465783 -1.380356
H -0.895092 -0.637723 0.626779
H 1.418867 -2.013839 0.313977
H 1.968712 -2.305843 -1.356535
H 2.211584 2.509989 1.362751
H 2.353391 2.685421 -0.401420
H 0.010043 -1.091786 -2.287991
H -0.529945 -2.327963 -1.138556
H -2.022989 0.494753 -1.996646
H 4.503437 1.678100 -0.321499
H 4.344327 1.412111 1.429611
H -0.169419 3.089071 0.475830
H -0.772287 1.800690 1.549864
H 3.021188 1.254508 -2.094341
H 3.192251 -0.432895 -2.607903
H 1.592865 0.363161 -2.676403
H -2.114121 2.829681 -1.037915
H -2.711781 3.069852 0.631989
H -2.550245 -2.029556 -1.752879
H -3.918093 -0.921067 -1.948061
H 4.810597 -1.682726 -0.625545
H -2.986607 -2.127299 0.744464
H -4.455067 -2.581217 -0.148597
H -4.440176 1.489546 1.302341
H 3.520053 -2.326919 3.307458


