%chk=000100046.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000100046

0 1
 O  -0.4005000       2.372800     -0.9057000    
 O    5.559200      0.2117000       1.342600    
 C   -2.789300       2.365500      0.6353000    
 C   -2.700000      -2.618000      0.3868000    
 C   -2.128400       1.113400      0.1602000    
 C   -2.073300      -1.258700      3.4600001E-02
 C  -0.3526000     -1.2700000E-02  -1.029200    
 C   -2.696200     -0.1198000      0.4801000    
 C  -0.9566000       1.167000     -0.5944000    
 C   0.9026000      2.4000000E-02  -1.837400    
 C  -0.9204000      -1.246000     -0.7095000    
 C   -4.077000       2.046900       1.455400    
 C   -3.205400       3.273100     -0.5628000    
 C   -1.916400       3.272600       1.563300    
 C   -1.694700      -3.456900       1.205100    
 C   -3.058100      -3.376700     -0.9094000    
 C   -3.994100      -2.511200       1.225100    
 C    2.167900      7.5199999E-02 -0.9729000    
 C   0.9683000      -1.078800      -2.922100    
 C    2.999300       1.163100      -1.091400    
 C    2.418500     -0.9695000     -0.1158000    
 C    4.150700       1.208800     -0.3054000    
 C    3.569800     -0.9235000      0.6702000    
 C    4.436000      0.1656000      0.5754000    
 C    5.790700     -0.8878000       2.221800    
 H   -3.598100     -0.1869000       1.061900    
 H   0.8737000      0.9372000      -2.449000    
 H  -0.4602000      -2.172600      -1.029300    
 H   -3.861100       1.478800       2.368300    
 H   -4.556200       2.977800       1.786200    
 H   -4.832700       1.522800      0.8580000    
 H   -3.801700       2.707400      -1.288600    
 H   -3.819200       4.114900     -0.2199000    
 H   -2.354800       3.704300      -1.097400    
 H   -1.032500       3.668400       1.054900    
 H   -2.487400       4.132300       1.933100    
 H   -1.565100       2.703200       2.431900    
 H   -2.135100      -4.414000       1.508700    
 H  -0.7860000      -3.691300      0.6403000    
 H   -1.388800      -2.928000       2.115600    
 H   -2.176400      -3.608300      -1.516900    
 H   -3.548100      -4.331400     -0.6848000    
 H   -3.743000      -2.790200      -1.533400    
 H   -4.394900      -3.508900       1.444900    
 H   -3.820100      -2.029000       2.194500    
 H   -4.787100      -1.970900      0.6944000    
 H    1.130100      -2.078500      -2.505600    
 H    1.808800     -0.8864000      -3.599700    
 H   5.2999999E-02  -1.098900      -3.524300    
 H   0.5592000       2.288400      -1.008800    
 H    2.790200       1.978400      -1.776500    
 H    1.766000      -1.831800     -3.5500001E-02
 H    4.822100       2.059500     -0.3842000    
 H    3.732200      -1.768300       1.331000    
 H    5.933900      -1.822200       1.668600    
 H    5.003400     -0.9703000       2.978900    
 H    6.725900     -0.6850000       2.754000    


%chk=000100046-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000100046

0 1
O -0.006863 2.009820 -0.527195
O 5.752643 1.042561 0.952583
C -2.490946 2.271999 0.977171
C -3.236286 -2.778182 0.041725
C -2.022686 0.941829 0.334016
C -2.397192 -1.485604 -0.113592
C -0.384726 -0.367368 -1.015209
C -2.788068 -0.247922 0.449111
C -0.803393 0.847943 -0.393554
C 0.894545 -0.359566 -1.867733
C -1.187251 -1.515173 -0.851745
C -3.863858 2.129091 1.687414
C -2.641130 3.368368 -0.121963
C -1.452272 2.735830 2.044837
C -2.374375 -3.878348 0.732262
C -3.680513 -3.285074 -1.363901
C -4.509470 -2.560000 0.899357
C 2.144456 0.046002 -1.062032
C 1.171647 -1.694669 -2.606102
C 3.135166 0.891162 -1.635829
C 2.386645 -0.476140 0.232862
C 4.320373 1.205545 -0.945520
C 3.569657 -0.173204 0.941426
C 4.542987 0.670724 0.348079
C 6.029892 0.519118 2.292829
H -3.722709 -0.200661 1.009873
H 0.755644 0.414421 -2.654251
H -0.866520 -2.450634 -1.321236
H -3.829190 1.397116 2.515863
H -4.148253 3.106848 2.117976
H -4.663685 1.828249 0.985083
H -3.400515 3.068809 -0.868454
H -2.969162 4.319268 0.340083
H -1.686376 3.540801 -0.642405
H -0.461085 2.888882 1.589641
H -1.781842 3.689888 2.499345
H -1.359257 1.984626 2.851620
H -2.956344 -4.813925 0.836815
H -1.464158 -4.109582 0.149997
H -2.057735 -3.551893 1.740047
H -2.811831 -3.499305 -2.011999
H -4.271796 -4.215841 -1.268379
H -4.303775 -2.527792 -1.873869
H -5.065152 -3.512033 0.986975
H -4.260014 -2.221223 1.921971
H -5.189301 -1.816919 0.442874
H 1.349607 -2.519680 -1.892674
H 2.076375 -1.594369 -3.231128
H 0.327347 -1.972386 -3.262729
H 0.936874 1.751402 -0.715538
H 2.974757 1.305458 -2.639572
H 1.630414 -1.118920 0.698701
H 5.081654 1.858895 -1.382248
H 3.718530 -0.589881 1.942150
H 6.078533 -0.587202 2.290798
H 5.268092 0.856465 3.022260
H 7.011892 0.932975 2.564313


