%chk=000100296.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000100296

0 1
 O   0.7032000       1.000500       2.723200    
 O   0.7517000      -1.364800      0.8294000    
 O   -2.346800       1.602100     -0.3800000    
 O   -1.645300      -1.701300     -0.5718000    
 O    1.700700       2.656200      -1.777600    
 O   -3.639900      4.5499999E-02  -1.494200    
 O   -2.089100      -3.084600       1.224500    
 C   5.3399999E-02   1.345500      0.2752000    
 C  -0.1378000      0.6843000       1.624300    
 C    1.393800      0.7473000     -0.3739000    
 C  -0.4344000     -0.7417000       1.331500    
 C   -1.216000      0.7340000     -0.4634000    
 C   -1.554400     -0.5842000      0.2905000    
 C  -0.6823000       1.356900       2.866000    
 C    1.310700     -0.8188000     -0.3777000    
 C   3.8600001E-02   2.877000      0.3109000    
 C    2.676500       1.164200      0.4107000    
 C    1.569400       1.257300      -1.834700    
 C    2.633400      -1.515300     -0.5691000    
 C    3.968100      0.5436000     -0.1397000    
 C    3.831700     -0.9147000     -0.4827000    
 C   -3.497600       1.126800     -0.9398000    
 C    5.111100      -1.658900     -0.7264000    
 C   -1.919700      -2.904000      2.6300000E-02
 C   -4.592300       2.137400     -0.7777000    
 C   -1.986500      -3.990500      -1.003800    
 H  -0.7549000      -1.293000       2.219800    
 H   -1.027500      0.5543000      -1.524500    
 H   -2.506500     -0.4719000      0.8286000    
 H  -0.9168000       2.410800       2.875900    
 H   -1.276000      0.7689000       3.555300    
 H   0.6815000      -1.140900      -1.215500    
 H   0.9388000       3.300600      0.7630000    
 H  -0.1254000       3.318800     -0.6752000    
 H  -0.7998000       3.249700      0.9096000    
 H    2.605800      0.8362000       1.451300    
 H    2.805000       2.250900      0.4454000    
 H   0.7166000       1.011600      -2.471300    
 H    2.453100      0.8412000      -2.326700    
 H    2.584500      -2.576100     -0.8049000    
 H    4.752200      0.6681000      0.6180000    
 H    4.305300       1.093200      -1.026300    
 H    1.809100       2.975200      -2.689600    
 H    5.665600      -1.198700      -1.550700    
 H    4.936300      -2.707900     -0.9872000    
 H    5.739400      -1.638500      0.1700000    
 H   -4.317900       3.065400      -1.285500    
 H   -4.774500       2.318500      0.2845000    
 H   -5.511400       1.751900      -1.228300    
 H   -1.024300      -4.073600      -1.515400    
 H   -2.785200      -3.774500      -1.717800    
 H   -2.204500      -4.943400     -0.5132000    


%chk=000100296-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000100296

0 1
O 0.771120 1.068435 2.901853
O 0.925143 -1.485291 0.963274
O -2.562916 1.178902 -0.217845
O -1.614278 -2.035901 -0.295504
O 1.812613 2.539497 -1.918564
O -2.192892 1.918537 -2.402572
O -2.449556 -3.259165 1.504941
C -0.070071 1.189101 0.380704
C -0.114526 0.582926 1.803796
C 1.273023 0.696269 -0.342081
C -0.281447 -0.914359 1.562281
C -1.290290 0.404665 -0.266002
C -1.501477 -0.859972 0.595043
C -0.727865 1.246016 2.996748
C 1.306175 -0.875191 -0.358174
C -0.220147 2.719589 0.367074
C 2.545009 1.197018 0.398798
C 1.299597 1.154204 -1.831548
C 2.660713 -1.456393 -0.685088
C 3.838238 0.727573 -0.301385
C 3.823196 -0.748415 -0.662442
C -2.901159 1.903388 -1.370221
C 5.155507 -1.379073 -1.009963
C -2.081462 -3.215425 0.310839
C -4.207558 2.635697 -1.166075
C -2.047552 -4.365122 -0.668028
H -0.470675 -1.519428 2.459866
H -1.108343 0.147199 -1.321507
H -2.426154 -0.773798 1.193357
H -1.068252 2.285164 2.931881
H -1.213594 0.627774 3.762968
H 0.565674 -1.252132 -1.098179
H 0.512043 3.171490 1.059248
H -0.024959 3.133424 -0.633199
H -1.230406 3.018451 0.695930
H 2.530073 0.807253 1.430365
H 2.542267 2.297537 0.451001
H 0.287506 1.110298 -2.280019
H 1.969359 0.478777 -2.400743
H 2.672336 -2.526866 -0.927152
H 4.705737 0.930165 0.358840
H 4.009732 1.330805 -1.216930
H 1.677388 2.864882 -2.843512
H 5.656423 -0.825567 -1.829160
H 5.047659 -2.432699 -1.320579
H 5.842720 -1.344955 -0.141549
H -4.065926 3.457824 -0.441565
H -4.969606 1.956902 -0.748670
H -4.552970 3.053519 -2.122467
H -1.028606 -4.793586 -0.685733
H -2.288320 -4.024950 -1.687402
H -2.749544 -5.148394 -0.345648


