%chk=000028729.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000028729

0 1
 O    3.246200      1.5799999E-02 -0.1058000    
 O   0.7852000      -2.345100     -0.4001000    
 O    4.431300      -2.498000     -0.2633000    
 O   -2.484800      -1.404700      0.6797000    
 O  -4.6100002E-02  -1.871800       1.700900    
 C    3.153200      -2.260300     -0.8578000    
 C    3.090200     -0.7943000      -1.266200    
 C    2.069500      -2.602900      0.1580000    
 C    2.637100       1.242100     -0.1246000    
 C    2.187700       1.826000       1.055700    
 C    2.474500       1.895900      -1.342300    
 C    1.569700       3.076000       1.018000    
 C    2.356500       1.134500       2.368200    
 C    1.856600       3.145900      -1.379800    
 C    1.404300       3.735900     -0.1999000    
 C  -0.1895000      -1.985800      0.4911000    
 C   -1.478600      -1.750300     -0.2511000    
 C   -3.494200     -0.5854000      0.2348000    
 C   -3.873800     -0.6301000      -1.099900    
 C   -4.119800      0.2756000       1.126300    
 C   -4.898000      0.2022000      -1.551700    
 C   -5.144000       1.107800      0.6745000    
 C   -5.533000       1.071000     -0.6646000    
 H    3.059700      -2.892000      -1.747500    
 H    2.135700     -0.6156000      -1.777200    
 H    3.917800     -0.5718000      -1.950300    
 H    2.238100      -2.054700       1.093200    
 H    2.130200      -3.669300      0.4065000    
 H    2.839400       1.490000      -2.280800    
 H    1.211000       3.549400       1.928100    
 H    4.519600      -1.903600      0.5014000    
 H    2.043400       1.766400       3.206200    
 H    1.753300      0.2220000       2.395800    
 H    3.407700      0.8748000       2.531800    
 H    1.734000       3.663500      -2.326800    
 H   0.9245000       4.709900     -0.2292000    
 H   -1.280900     -0.9387000     -0.9626000    
 H   -1.760500      -2.674400     -0.7664000    
 H   -3.422300      -1.311100      -1.814800    
 H   -3.818900      0.3071000       2.169500    
 H   -5.205600      0.1696000      -2.592900    
 H   -5.638700       1.784300       1.365300    
 H   -6.331600       1.717800      -1.015900    


%chk=000028729-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000028729

0 1
O 3.015220 -0.015659 -0.049228
O 0.547058 -2.384868 -0.347496
O 4.291251 -2.565563 -0.397818
O -2.546650 -0.747925 0.589946
O -0.011659 -1.206340 1.605506
C 2.951479 -2.242749 -0.910322
C 2.854236 -0.765041 -1.303219
C 1.921886 -2.658405 0.160048
C 2.899762 1.392782 -0.083698
C 2.799372 2.018953 1.191977
C 2.885967 2.140210 -1.283239
C 2.701904 3.428790 1.217160
C 2.771080 1.184346 2.456009
C 2.783844 3.549629 -1.221294
C 2.695399 4.197904 0.028155
C -0.311068 -1.643188 0.482679
C -1.637379 -1.496640 -0.257102
C -3.834163 -0.489407 0.076669
C -4.295369 -0.917259 -1.192697
C -4.677692 0.254828 0.937366
C -5.613390 -0.589449 -1.591310
C -5.986005 0.571728 0.524372
C -6.462833 0.152135 -0.742848
H 2.836097 -2.862711 -1.815806
H 1.875426 -0.533616 -1.767278
H 3.671329 -0.520116 -2.009960
H 2.077299 -2.098428 1.097675
H 1.989793 -3.742782 0.343117
H 2.958284 1.645481 -2.256585
H 2.619075 3.929792 2.188979
H 4.519249 -1.882981 0.287423
H 2.666174 1.825671 3.347451
H 1.927914 0.468742 2.437467
H 3.695535 0.586769 2.566619
H 2.774737 4.131488 -2.149522
H 2.615756 5.288806 0.080740
H -1.451157 -0.975923 -1.219320
H -2.028480 -2.509048 -0.486753
H -3.657663 -1.494380 -1.869390
H -4.287672 0.568995 1.910165
H -5.971535 -0.919721 -2.572941
H -6.635663 1.147870 1.192385
H -7.480651 0.400881 -1.060586


