%chk=000094085.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000094085

0 1
 O   0.5005000      -1.935900     -0.5998000    
 O  -0.3358000      -1.857000      0.5914000    
 O    2.152900      -2.256800      0.9862000    
 O   -1.973600      -2.369500     -0.9550000    
 C    5.484600       1.870700     -0.1235000    
 C   -5.583100       1.699400     -0.2937000    
 C    5.531000      0.3853000     -0.5010000    
 C   -5.529800      0.2726000      0.2624000    
 C    6.851500       2.518400      0.1703000    
 C   -7.014900       2.184200     -0.5903000    
 C    4.119700     -0.1691000     -0.7181000    
 C   -4.089400     -0.1745000      0.5187000    
 C    4.087800      -1.662100      -1.066500    
 C   -3.964200      -1.608300       1.051200    
 C    6.741100       4.024800      0.4088000    
 C    7.579700       1.844400       1.332700    
 C   -7.846300       2.164000      0.6946000    
 C   -7.044300       3.586000      -1.201600    
 C    2.704100      -2.231400      -1.366000    
 C   -2.534700      -2.038000       1.387600    
 C    1.782300      -2.139900     -0.1746000    
 C   -1.619000      -2.107200      0.1860000    
 H    5.003300       2.422600     -0.9413000    
 H    4.838800       1.997400      0.7554000    
 H   -5.100800       2.385500      0.4144000    
 H   -4.996900       1.743500      -1.220400    
 H    6.128200      0.2535000      -1.410600    
 H    6.011700     -0.1946000      0.2937000    
 H   -6.076900      0.2047000       1.208200    
 H   -6.008500     -0.4161000     -0.4437000    
 H    7.476000       2.384800     -0.7234000    
 H   -7.477000       1.496600      -1.310100    
 H    3.526100      6.6000000E-03  0.1869000    
 H    3.635000      0.3934000      -1.525800    
 H   -3.518200     -8.4200002E-02 -0.4130000    
 H   -3.625600      0.5119000       1.238300    
 H    4.544500      -2.226500     -0.2436000    
 H    4.722600      -1.830300      -1.945500    
 H   -4.390800      -2.300000      0.3143000    
 H   -4.572900      -1.701500       1.959100    
 H    7.730100       4.472700      0.5517000    
 H    6.270400       4.519600     -0.4472000    
 H    6.138400       4.239000       1.297900    
 H    8.520700       2.360300       1.553200    
 H    7.831700      0.8053000       1.101600    
 H    6.968500       1.856000       2.241300    
 H   -7.356100       2.723400       1.498600    
 H   -8.829400       2.617300      0.5244000    
 H   -8.030800       1.143800       1.043300    
 H   -6.614600       4.325400     -0.5173000    
 H   -8.070200       3.891200      -1.433100    
 H   -6.468600       3.612200      -2.132800    
 H    2.779000      -3.285400      -1.653500    
 H    2.267100      -1.679600      -2.206300    
 H   -2.545400      -3.031600       1.848900    
 H   -2.118100      -1.331700       2.115600    


%chk=000094085-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000094085

0 1
O 0.435391 0.663802 -0.626602
O -0.493321 0.639059 0.588534
O 1.602521 -1.107182 0.424640
O -1.509031 -1.241011 -0.428662
C 6.655960 1.535893 0.234753
C -6.675694 1.227901 -0.369974
C 5.968931 0.389720 -0.542136
C -5.957495 0.099397 0.404811
C 8.192126 1.383582 0.402259
C -8.128145 0.898510 -0.808070
C 4.462747 0.644877 -0.776054
C -4.473571 0.422851 0.690403
C 3.779903 -0.498065 -1.559302
C -3.764909 -0.688976 1.495167
C 8.793975 2.663491 1.030413
C 8.568664 0.140439 1.244488
C -9.065478 0.658331 0.400471
C -8.688208 2.025390 -1.708590
C 2.273472 -0.253751 -1.817595
C -2.273777 -0.385394 1.781747
C 1.460614 -0.336391 -0.532843
C -1.437766 -0.438573 0.510711
H 6.450823 2.492893 -0.290083
H 6.192966 1.627852 1.240521
H -6.688091 2.150401 0.249225
H -6.080555 1.469516 -1.275719
H 6.475649 0.256617 -1.521619
H 6.088666 -0.565622 0.006548
H -6.477701 -0.091690 1.365109
H -6.018657 -0.842743 -0.179258
H 8.631251 1.257874 -0.611394
H -8.094695 -0.036917 -1.407795
H 3.960268 0.773690 0.204231
H 4.332719 1.600249 -1.326191
H -3.945035 0.577955 -0.272328
H -4.406366 1.381911 1.245340
H 3.897310 -1.449902 -1.006937
H 4.279798 -0.625814 -2.539474
H -3.834817 -1.647947 0.947031
H -4.279547 -0.829925 2.465822
H 9.893523 2.587132 1.122974
H 8.564033 3.557651 0.420847
H 8.381120 2.830525 2.044359
H 9.664681 0.070345 1.375676
H 8.227470 -0.798706 0.773094
H 8.111319 0.201218 2.251443
H -9.094119 1.552847 1.053486
H -10.099027 0.454724 0.063135
H -8.739517 -0.200262 1.014934
H -8.737445 2.981338 -1.151538
H -9.709612 1.787925 -2.060257
H -8.049699 2.184944 -2.597732
H 1.864603 -1.034066 -2.489667
H 2.099440 0.719956 -2.308812
H -1.848011 -1.148362 2.462928
H -2.148254 0.595796 2.272530


