%chk=000017536.chk
%nprocshared=8
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000017536

0 1
 O   0.8609000     -0.1610000      0.8960000    
 O    4.450800     -0.3032000      -1.322600    
 O    3.531300     -0.6168000       1.388800    
 O   -2.173500      -3.429300     -0.4704000    
 O   -3.634800       1.180900     -0.3336000    
 O   -4.228500       3.390900     -0.2369000    
 C    4.310800      0.8027000     -0.4258000    
 C    3.160100      0.4924000      0.5606000    
 C    1.828000      0.1379000     -0.1045000    
 C    3.998200       2.048600      -1.265200    
 C    5.645500      0.9965000      0.3017000    
 C  -0.4003000     -0.4696000      0.4627000    
 C  -0.7430000      -1.807400      0.1842000    
 C   -1.372000      0.5283000      0.2881000    
 C   -2.033100      -2.090900     -0.2545000    
 C   -2.648800      0.1828000     -0.1545000    
 C   -3.025900      -1.132300     -0.4410000    
 C  -6.9700003E-02  -3.056800      0.2339000    
 C   -1.080200       1.927300      0.5591000    
 C  -0.9800000      -4.004900     -0.1715000    
 C   -2.019400       2.860200      0.3860000    
 C   -3.376200       2.523600     -8.0600001E-02
 H    3.010300       1.338500       1.241500    
 H    1.946200     -0.7450000     -0.7442000    
 H    1.471600      0.9700000     -0.7200000    
 H    3.803900       2.921200     -0.6335000    
 H    3.137100       1.887100      -1.921700    
 H    4.836900       2.285300      -1.930500    
 H    6.450500       1.203200     -0.4131000    
 H    5.595500       1.825000       1.015700    
 H    5.946000      9.0899996E-02  0.8400000    
 H    4.750500      -1.073200     -0.8105000    
 H    3.564200      -1.411900      0.8307000    
 H   -4.019700      -1.392100     -0.7842000    
 H   0.9534000      -3.242800      0.5288000    
 H  -9.6100003E-02   2.215000      0.9109000    
 H  -0.9355000      -5.077100     -0.2954000    
 H   -1.806100       3.903900      0.5898000    


%chk=000017536-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000017536

0 1
O 0.806426 0.566663 0.221661
O 4.765434 -0.862205 0.534301
O 3.147222 1.107792 1.522185
O -2.058927 -3.027558 -1.283712
O -3.984532 0.879521 0.859472
O -4.915320 2.731744 1.875523
C 4.581311 0.368113 -0.268182
C 3.164547 0.932012 0.057886
C 2.039298 -0.024820 -0.349515
C 4.717379 -0.070544 -1.735016
C 5.654140 1.413462 0.107580
C -0.434937 -0.046696 0.024132
C -0.654934 -1.309513 -0.582724
C -1.552541 0.707094 0.503912
C -2.014937 -1.766518 -0.666364
C -2.878170 0.167568 0.386931
C -3.140841 -1.082323 -0.202143
C 0.151823 -2.369372 -1.188951
C -1.412004 2.013950 1.107084
C -0.714084 -3.359288 -1.587225
C -2.501646 2.717942 1.570199
C -3.862269 2.195501 1.486323
H 3.020816 1.912052 -0.442811
H 2.221008 -1.019155 0.096577
H 1.934953 -0.094573 -1.446944
H 4.461533 0.753677 -2.425283
H 4.074599 -0.940378 -1.953784
H 5.760103 -0.373902 -1.928225
H 6.653534 0.953958 0.021025
H 5.612045 2.290175 -0.565448
H 5.509833 1.766671 1.142889
H 4.566191 -0.608225 1.475827
H 2.203776 1.226685 1.804226
H -4.155694 -1.473256 -0.282312
H 1.229099 -2.410326 -1.315030
H -0.409660 2.445039 1.181091
H -0.574296 -4.320312 -2.073918
H -2.401376 3.707244 2.023071


