%chk=000051319.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000051319

0 1
 O    1.051300       2.759900     -0.9989000    
 O    1.143800       2.844500       1.299600    
 C    1.609300     -0.5959000      0.1155000    
 C    2.718700      0.4355000      0.2539000    
 C    1.948000      -1.952500     -5.4400001E-02
 C    4.100300     -0.1441000      0.5538000    
 C    3.376000      -2.439500     -6.5600000E-02
 C    4.385500      -1.333600     -0.3457000    
 C   0.2349000     -0.1909000      0.1038000    
 C  -0.8009000      -1.160300     -2.3700001E-02
 C   0.9319000      -2.897900     -0.1694000    
 C  -0.1453000       1.160500      0.2097000    
 C   -2.186200     -0.7524000     -2.2700001E-02
 C  -0.4061000      -2.509500     -0.1514000    
 C   -2.503400      0.6227000      9.5899999E-02
 C   -1.479500       1.559200      0.2076000    
 C   -3.286700      -1.642100     -0.1356000    
 C   0.7363000       2.324200      0.2567000    
 C   -3.840000       1.058900      9.9600002E-02
 C   -4.612600      -1.198800     -0.1308000    
 C   -4.889500      0.1534000     -1.2900000E-02
 C    1.914300       3.899000      -1.085100    
 H    2.794700       1.008000     -0.6748000    
 H    2.534700       1.071500       1.117500    
 H    4.863400      0.6303000      0.4153000    
 H    4.154200     -0.4601000       1.603900    
 H    3.589900      -2.890700      0.9116000    
 H    3.497400      -3.222500     -0.8240000    
 H    5.400800      -1.706900     -0.1719000    
 H    4.328700      -1.026500      -1.397600    
 H    1.172300      -3.953200     -0.2766000    
 H   -1.138400      -3.306600     -0.2494000    
 H   -1.729600       2.617800      0.2849000    
 H   -3.136300      -2.714400     -0.2303000    
 H   -4.077000       2.117400      0.1907000    
 H   -5.423700      -1.915600     -0.2194000    
 H   -5.916900      0.5042000     -8.6000003E-03
 H    2.869800       3.689700     -0.5950000    
 H    1.431400       4.770400     -0.6334000    
 H    2.099300       4.106400      -2.142300    


%chk=000051319-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000051319

0 1
O 1.366217 2.524025 -1.179608
O 0.677842 3.489578 0.822457
C 1.624292 -0.514081 0.023673
C 2.737318 0.455376 0.427227
C 1.956293 -1.863817 -0.238306
C 4.009449 -0.249354 0.944417
C 3.386707 -2.400079 -0.192829
C 4.466541 -1.307740 -0.077878
C 0.235892 -0.096891 -0.029021
C -0.805226 -1.090870 -0.199971
C 0.922362 -2.802574 -0.519084
C -0.194822 1.289260 0.163355
C -2.221663 -0.736563 -0.058805
C -0.420166 -2.437143 -0.472314
C -2.573198 0.613437 0.291696
C -1.533000 1.598728 0.378094
C -3.286743 -1.677793 -0.216892
C 0.667094 2.510598 0.035913
C -3.941452 0.977533 0.490651
C -4.624133 -1.305383 -0.021589
C -4.960122 0.031193 0.341240
C 2.162113 3.748363 -1.433912
H 3.012059 1.074694 -0.447320
H 2.365049 1.155402 1.199778
H 4.800602 0.505716 1.112499
H 3.811205 -0.736706 1.920216
H 3.472133 -3.085447 0.676680
H 3.563724 -3.027220 -1.088908
H 5.432556 -1.759529 0.215651
H 4.619441 -0.817802 -1.060299
H 1.197088 -3.842477 -0.735872
H -1.181441 -3.204829 -0.633108
H -1.810808 2.642594 0.563874
H -3.071200 -2.714037 -0.491813
H -4.178552 2.014335 0.756653
H -5.418408 -2.049390 -0.148398
H -6.007562 0.311636 0.494608
H 2.966499 3.846778 -0.684057
H 1.516637 4.641123 -1.385098
H 2.574183 3.608853 -2.443101


