%chk=000178100.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000178100

0 1
 O    5.855100      0.3199000      0.2729000    
 O    5.292000       2.331800     -0.6141000    
 C   -1.409600       2.254800      0.3579000    
 C   1.1700000E-02   2.668800     -2.8300000E-02
 C   -2.440700       3.257200     -0.1669000    
 C    1.079000       1.653700      0.3918000    
 C   -2.508400      -1.819700     -0.2670000    
 C   -3.865000       2.824500      0.1865000    
 C   -3.974000      -2.039500      0.1232000    
 C    2.516100       1.967900     -4.3900002E-02
 C   -1.579200      -2.939600      0.2123000    
 C   -4.893800     -0.9094000     -0.3522000    
 C  -0.1116000      -2.711300     -0.1571000    
 C   -4.201500       1.500300     -0.4348000    
 C   -4.560300      0.4164000      0.2687000    
 C    3.556400      0.9145000      0.3389000    
 C   0.7721000      -3.850100      0.3543000    
 C    4.967000       1.296100     -5.0400000E-02
 C    2.174200      -3.648900     -3.6699999E-02
 C    3.320600      -3.487500     -0.3549000    
 H   -1.487700       2.169100       1.448100    
 H   -1.594800       1.263700     -6.4300001E-02
 H   0.2447000       3.641300      0.4223000    
 H   6.5300003E-02   2.803500      -1.115800    
 H   -2.341500       3.361200      -1.254700    
 H   -2.249100       4.245400      0.2679000    
 H    1.057000       1.549400       1.483900    
 H   0.8060000      0.6730000     -1.7200001E-02
 H   -2.430900      -1.724100      -1.356800    
 H   -2.149800     -0.8810000      0.1651000    
 H   -3.982400       2.792500       1.276400    
 H   -4.571300       3.574900     -0.1874000    
 H   -4.324600      -2.983900     -0.3105000    
 H   -4.050800      -2.143800       1.212700    
 H    2.807300       2.934700      0.3866000    
 H    2.534200       2.104600      -1.132800    
 H   -1.666300      -3.034000       1.301900    
 H   -1.916900      -3.891300     -0.2163000    
 H   -4.858700     -0.8492000      -1.446900    
 H   -5.927500      -1.160600     -8.6199999E-02
 H   0.2298000      -1.758600      0.2664000    
 H  -1.8200001E-02  -2.624500      -1.247100    
 H   -4.150200       1.439900      -1.519300    
 H   -4.620700      0.4782000       1.352500    
 H    3.311200     -3.2600001E-02 -0.1543000    
 H    3.537800      0.7622000       1.423700    
 H   0.4163000      -4.806100     -4.7699999E-02
 H   0.7010000      -3.913800       1.446300    
 H    6.769800      0.5558000      8.3999997E-03
 H    4.337100      -3.342000     -0.6367000    


%chk=000178100-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000178100

0 1
O 5.661899 -0.220613 -0.042389
O 5.388274 1.948105 -0.820458
C -1.360071 2.349217 0.454257
C 0.063689 2.691414 -0.039877
C -2.458915 3.283251 -0.098514
C 1.119907 1.682519 0.465844
C -2.538391 -1.870321 -0.357361
C -3.899026 2.818982 0.268652
C -4.015495 -2.115121 0.019266
C 2.531632 1.911212 -0.117889
C -1.575589 -2.988850 0.102159
C -4.957669 -0.956493 -0.421464
C -0.097656 -2.602069 -0.125792
C -4.276060 1.507532 -0.392504
C -4.626830 0.362368 0.250379
C 3.509154 0.808426 0.335196
C 0.904984 -3.704243 0.320245
C 4.900416 0.955031 -0.240215
C 2.307351 -3.255564 0.230303
C 3.465090 -2.831440 0.159221
H -1.384041 2.371811 1.564275
H -1.598757 1.306698 0.161197
H 0.340890 3.717480 0.279592
H 0.069988 2.698451 -1.150049
H -2.369938 3.339379 -1.203666
H -2.300692 4.312982 0.281240
H 1.163785 1.719960 1.574746
H 0.783571 0.656942 0.203657
H -2.456512 -1.742126 -1.457198
H -2.212824 -0.908772 0.087859
H -3.989558 2.724453 1.369199
H -4.612153 3.609781 -0.045035
H -4.368489 -3.061139 -0.439774
H -4.095834 -2.250103 1.118171
H 2.918009 2.903795 0.181531
H 2.478281 1.921458 -1.223953
H -1.737939 -3.193171 1.181370
H -1.808547 -3.932379 -0.434102
H -4.904389 -0.836399 -1.521959
H -6.002044 -1.245790 -0.180726
H 0.124348 -1.672776 0.435245
H 0.073366 -2.372662 -1.195913
H -4.233370 1.499990 -1.494914
H -4.661495 0.362711 1.352920
H 3.127886 -0.196633 0.072429
H 3.606101 0.803946 1.440670
H 0.760313 -4.611565 -0.299361
H 0.682915 -3.999160 1.365691
H 6.575569 -0.073077 -0.411056
H 4.461063 -2.423627 0.107257


