%chk=000085748.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000085748

0 1
 O    5.527500      -1.830100      0.8638000    
 O   -5.795700      -1.028300      0.3958000    
 C  -0.1017000      0.3991000      -1.100900    
 C   0.6600000      0.5931000      0.2342000    
 C   -1.634600      0.3280000     -0.9291000    
 C   -2.237400       1.424800     -9.2000002E-03
 C    2.229900      0.6471000      5.6100000E-02
 C   8.9199997E-02   1.818400      0.9778000    
 C   -1.401200       1.657400       1.262600    
 C   0.4292000     -0.8254000      -1.860100    
 C   -2.205700     -0.9949000     -0.3812000    
 C    2.695100     -0.5042000     -0.8428000    
 C    1.923400     -0.7113000      -2.123200    
 C    2.880900      0.5158000       1.465200    
 C   -3.553100      0.7856000      0.3706000    
 C   -2.457100       2.730900     -0.7808000    
 C   -3.512300     -0.5358000      0.1713000    
 C    2.695000       1.973900     -0.5875000    
 C    4.365000      0.1864000       1.423500    
 C    3.741700      -1.300200     -0.5671000    
 C    4.603200      -1.059500      0.6128000    
 C   -4.622400      -1.421600      0.4723000    
 C   -4.318700      -2.849100      0.8761000    
 H   9.3400002E-02   1.282000      -1.725400    
 H   0.4422000     -0.2904000      0.8530000    
 H   -2.062600      0.4479000      -1.938900    
 H   0.2490000       2.732800      0.3960000    
 H   0.5999000       1.959500       1.935700    
 H   -1.521400      0.8194000       1.963500    
 H   -1.765000       2.544500       1.797400    
 H  -9.6500002E-02 -0.9263000      -2.817400    
 H   0.2364000      -1.743800      -1.291700    
 H   -1.584100      -1.427700      0.4089000    
 H   -2.332900      -1.727900      -1.184300    
 H    2.117500      0.1290000      -2.800800    
 H    2.257900      -1.613600      -2.649900    
 H    2.374100     -0.2795000       2.029500    
 H    2.747900       1.437700       2.043200    
 H   -4.387400       1.330100      0.7911000    
 H   -1.513400       3.142700      -1.152800    
 H   -3.114100       2.580800      -1.645600    
 H   -2.926400       3.491000     -0.1454000    
 H    2.543800       2.823400      8.7099999E-02
 H    3.762900       1.949900     -0.8345000    
 H    2.159200       2.192900      -1.516500    
 H    4.722200      1.0500000E-02   2.444200    
 H    4.952100       1.004000      0.9936000    
 H    4.032000      -2.113400      -1.223900    
 H   -3.398600      -2.895500       1.464900    
 H   -4.224300      -3.469300     -1.8500000E-02
 H   -5.133400      -3.227500       1.500400    


%chk=000085748-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000085748

0 1
O 5.684523 -1.785986 0.915905
O -5.756525 -0.961977 1.197055
C -0.102188 0.379716 -1.095786
C 0.676683 0.609127 0.230258
C -1.641242 0.310117 -0.893422
C -2.261625 1.457733 -0.009557
C 2.251369 0.657963 0.049464
C 0.113943 1.861923 0.951553
C -1.387566 1.694479 1.272106
C 0.412265 -0.876080 -1.836462
C -2.218583 -1.005997 -0.277048
C 2.711669 -0.529918 -0.814479
C 1.935757 -0.795280 -2.091187
C 2.908018 0.568961 1.463214
C -3.574381 0.820940 0.425789
C -2.461062 2.775645 -0.793572
C -3.556394 -0.541607 0.300803
C 2.707110 1.973016 -0.662368
C 4.416148 0.246437 1.435661
C 3.800780 -1.301007 -0.492905
C 4.701284 -1.029542 0.646048
C -4.675084 -1.431088 0.727371
C -4.474979 -2.935646 0.567910
H 0.093276 1.258440 -1.750290
H 0.477415 -0.269154 0.886346
H -2.106246 0.404975 -1.898697
H 0.263711 2.759164 0.319830
H 0.656647 2.045389 1.897582
H -1.509908 0.834691 1.960726
H -1.767336 2.585594 1.809056
H -0.121845 -0.995307 -2.800020
H 0.194925 -1.778443 -1.231737
H -1.565582 -1.407776 0.526867
H -2.324065 -1.808649 -1.028909
H 2.126578 0.032888 -2.807271
H 2.304296 -1.719810 -2.571555
H 2.390474 -0.223779 2.040653
H 2.750552 1.518199 2.008078
H -4.414164 1.380996 0.852124
H -1.497267 3.194413 -1.136389
H -3.093811 2.611102 -1.684813
H -2.953495 3.540979 -0.164984
H 2.501004 2.852072 -0.027075
H 3.792228 1.951396 -0.867330
H 2.192232 2.123037 -1.627788
H 4.825413 0.132173 2.454940
H 4.983315 1.071824 0.958232
H 4.082401 -2.153692 -1.125184
H -3.534095 -3.264997 1.047502
H -4.399321 -3.200793 -0.504708
H -5.326652 -3.473562 1.011561


