%chk=000168114.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000168114

0 1
 O    2.407100      0.5245000       1.716200    
 O  -4.7699999E-02   1.752100       1.261300    
 O   -6.628700      -1.663600      0.9887000    
 O   -7.778900     -0.5053000      -1.261300    
 C    4.875300      0.3690000      0.1412000    
 C    3.504700     -0.1481000     -0.3123000    
 C    6.048800     -0.3931000     -0.4823000    
 C    2.352300      0.6618000      0.2967000    
 C    7.415800      6.9300003E-02  2.9600000E-02
 C    1.001100      0.1456000     -0.2060000    
 C    8.543900     -0.7739000     -0.5713000    
 C  -0.1852000      0.8841000      0.4009000    
 C    9.933300     -0.3725000     -7.1400002E-02
 C   -1.556900      0.4379000     -8.6900003E-02
 C   -2.715300       1.218600      0.5367000    
 C    11.05980      -1.189600     -0.6851000    
 C   -4.070600      0.7553000      5.8699999E-02
 C   -4.728000     -0.2489000      0.7511000    
 C   -4.631300       1.342400      -1.064300    
 C   -5.979600     -0.6773000      0.3091000    
 C   -5.882900      0.9139000      -1.506500    
 C   -6.557000     -9.6000001E-02 -0.8197000    
 C   -6.380100      -3.006200      0.5769000    
 H    4.965000       1.432100     -0.1141000    
 H    4.949800      0.2981000       1.233100    
 H    3.416200      -1.201600     -1.8400000E-02
 H    3.445800     -0.1053000      -1.406500    
 H    6.011600     -0.2820000      -1.573000    
 H    5.928800      -1.462700     -0.2689000    
 H    2.463600       1.726100      6.1600000E-02
 H    7.566300       1.125300     -0.2239000    
 H    7.444400     -9.4999997E-03   1.122900    
 H   0.8819000     -0.9118000      5.8699999E-02
 H   0.9440000      0.2473000      -1.295100    
 H    8.372600      -1.831500     -0.3350000    
 H    8.516600     -0.6856000      -1.664500    
 H    10.10580      0.6876000     -0.2925000    
 H    9.971400     -0.4794000       1.019300    
 H   -1.660000     -0.6291000      0.1432000    
 H   -1.576600      0.5519000      -1.177100    
 H   -2.670700       1.141100       1.631400    
 H   -2.599400       2.289800      0.3233000    
 H    2.298300     -0.4177000       1.931100    
 H    12.02670     -0.8602000     -0.2921000    
 H    11.07670      -1.074900      -1.773400    
 H    10.94110      -2.252800     -0.4534000    
 H   -4.279200     -0.7042000       1.630000    
 H   -4.112700       2.127800      -1.606500    
 H   -6.320900       1.375000      -2.387700    
 H   -8.017800      7.1999999E-03  -2.052700    
 H   -5.321600      -3.255800      0.7023000    
 H   -6.679600      -3.151700     -0.4658000    
 H   -6.973700      -3.673600       1.207500    


%chk=000168114-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000168114

0 1
O 1.474776 -0.084735 0.222061
O -0.162100 3.244339 -0.820982
O -4.771049 -2.069364 1.841866
O -7.190383 -1.618923 0.314677
C 4.486865 0.298214 -0.073178
C 3.440472 0.549475 -1.181406
C 5.836333 -0.216457 -0.622081
C 2.063628 0.974755 -0.630304
C 6.894210 -0.434099 0.483245
C 1.069086 1.379541 -1.758907
C 8.245037 -0.957288 -0.055230
C -0.184529 2.030996 -1.167080
C 9.302715 -1.169209 1.052119
C -1.410433 1.147138 -0.978935
C -2.582927 1.841943 -0.249890
C 10.649061 -1.692853 0.506694
C -3.800361 0.938390 -0.118858
C -3.782024 -0.181090 0.750053
C -4.973998 1.175344 -0.875118
C -4.889120 -1.047136 0.884651
C -6.093296 0.322651 -0.752922
C -6.068466 -0.779410 0.129401
C -5.219366 -3.427713 1.472371
H 4.653487 1.242006 0.485861
H 4.078611 -0.426304 0.658646
H 3.317697 -0.366070 -1.801624
H 3.809843 1.340511 -1.864864
H 6.231921 0.502321 -1.370391
H 5.673191 -1.171409 -1.165082
H 2.180487 1.827052 0.062957
H 7.060673 0.521460 1.023162
H 6.497224 -1.148860 1.234103
H 0.817937 0.486453 -2.363611
H 1.565810 2.123295 -2.408967
H 8.081417 -1.915595 -0.591744
H 8.642603 -0.244348 -0.807897
H 9.465998 -0.211445 1.587100
H 8.904277 -1.880550 1.804241
H -1.075919 0.243869 -0.427812
H -1.735704 0.782161 -1.976512
H -2.226802 2.166491 0.745901
H -2.845666 2.765599 -0.796187
H 1.512698 -0.940161 -0.279847
H 11.386665 -1.839428 1.317116
H 11.084007 -0.982794 -0.222019
H 10.516755 -2.662582 -0.009717
H -2.900251 -0.404005 1.361809
H -5.019370 2.032473 -1.556226
H -7.003260 0.527107 -1.334040
H -7.956038 -1.282803 -0.213914
H -4.661393 -3.790439 0.586853
H -6.301397 -3.448738 1.267218
H -4.975334 -4.049876 2.347042


