%chk=000051226.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000051226

0 1
 O   -1.277100     -0.4035000      -2.387000    
 O    1.018200      -1.066800     -0.6524000    
 O   -3.102700      0.8708000      -1.549400    
 O   0.6977000       2.494500     -0.1181000    
 O    1.426500     -0.9507000       1.614700    
 O   -4.748100      -1.946500      0.2240000    
 O    2.669100       3.513200      0.5246000    
 C   0.3240000      0.1831000     -0.5925000    
 C   -1.992000     -0.8184000     -0.1071000    
 C  -0.8336000      4.5000002E-02  0.3426000    
 C  -0.2339000      0.5050000      -1.992600    
 C   -2.418100     -0.3787000      -1.512800    
 C   -2.972100     -0.5999000       1.005400    
 C    1.346600       1.238100     -0.1715000    
 C   -1.129300      0.6196000       1.519300    
 C   -2.450800      0.2130000       1.934200    
 C    1.521400      -1.517900      0.5350000    
 C   -4.288800      -1.201800       1.092500    
 C    2.254200      -2.821000      0.2965000    
 C    3.719300      -2.622300     -0.1220000    
 C    3.828000      -1.782800      -1.397600    
 C    4.500400      -1.949200       1.008000    
 C    1.478400       3.560100      0.2467000    
 C   0.6625000       4.817100      0.2595000    
 H   -1.658900      -1.864400     -0.1279000    
 H  -0.6239000       1.527200      -2.065100    
 H   0.5585000      0.4005000      -2.742500    
 H   -3.118100      -1.127700      -1.901500    
 H    1.822600       1.060200      0.7952000    
 H    2.155200       1.280000     -0.9135000    
 H  -0.5199000       1.313100       2.075900    
 H   -2.921300      0.5409000       2.847500    
 H   -4.874600     -0.9521000       1.992700    
 H   -3.697200      0.8508000      -2.318300    
 H    2.191300      -3.412800       1.217800    
 H    1.710700      -3.395700     -0.4638000    
 H    4.156800      -3.609900     -0.3119000    
 H    3.552500     -0.7371000      -1.234000    
 H    4.861200      -1.788600      -1.762600    
 H    3.195700      -2.191900      -2.192400    
 H    4.156900     -0.9269000       1.197300    
 H    5.564900      -1.895900      0.7545000    
 H    4.410300      -2.518700       1.939000    
 H    1.295800       5.658200      0.5556000    
 H   0.2681000       5.012200     -0.7408000    
 H  -0.1513000       4.722000      0.9826000    


%chk=000051226-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000051226

0 1
O -1.448898 -0.394278 -2.318656
O 0.999125 -0.969165 -0.797432
O -3.233128 0.868151 -1.291352
O 0.546555 2.716136 -0.253862
O 1.689284 -1.102534 1.439202
O -4.787814 -2.062737 0.365565
O 2.591708 3.754954 0.155661
C 0.213767 0.319405 -0.563797
C -2.057943 -0.798208 0.030971
C -0.897157 0.098577 0.422475
C -0.418023 0.591630 -1.960596
C -2.577676 -0.422907 -1.384012
C -3.031572 -0.631976 1.176512
C 1.242417 1.403787 -0.194706
C -1.167569 0.693294 1.636706
C -2.474957 0.238877 2.104221
C 1.661183 -1.583270 0.283084
C -4.325940 -1.287404 1.261251
C 2.334002 -2.864057 -0.175736
C 3.897521 -2.766088 -0.184815
C 4.390782 -1.597993 -1.071227
C 4.488541 -2.683573 1.241418
C 1.362394 3.843201 -0.049730
C 0.536767 5.107594 -0.122512
H -1.737413 -1.856020 -0.050436
H -0.846486 1.609047 -1.954419
H 0.350694 0.493661 -2.743210
H -3.249856 -1.202662 -1.780169
H 1.648723 1.244665 0.816621
H 2.076923 1.400351 -0.919702
H -0.525182 1.397283 2.167823
H -2.943062 0.545927 3.044125
H -4.920171 -1.059031 2.180776
H -3.756934 1.026372 -2.116512
H 2.033606 -3.669301 0.521016
H 1.969376 -3.115538 -1.185662
H 4.243293 -3.714475 -0.645619
H 4.128623 -0.620334 -0.623224
H 5.490640 -1.629413 -1.174182
H 3.948609 -1.640256 -2.083581
H 4.134951 -1.779156 1.766474
H 5.592892 -2.652065 1.198302
H 4.194513 -3.559580 1.848979
H 1.178436 5.979387 0.068327
H 0.070098 5.200329 -1.118650
H -0.280544 5.072792 0.618088


