%chk=000018647.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000018647

0 1
 O  -0.5228000      -2.073400      0.9674000    
 O  -0.6038000      -1.710400      -1.270100    
 C  -0.4370000      0.2037000      0.2350000    
 C   0.8406000      0.8551000     -0.3287000    
 C   -1.718500      0.9332000     -0.2111000    
 C    2.116700      0.2239000      0.2448000    
 C   -3.005700      0.4388000      0.4570000    
 C    3.398800      0.8960000     -0.2529000    
 C  -0.5253000      -1.272200     -0.1299000    
 C   -4.211500       1.243200     -6.2000002E-03
 C    4.668400      0.2622000      0.2947000    
 H  -0.3867000      0.2751000       1.330500    
 H   0.8532000      0.7648000      -1.422000    
 H   0.8352000       1.926600     -9.4099998E-02
 H   -1.826100      0.8433000      -1.300100    
 H   -1.604000       2.003700      2.6000000E-03
 H    2.087300      0.2793000       1.340000    
 H    2.154000     -0.8397000     -1.8600000E-02
 H   -2.912600      0.5215000       1.545800    
 H   -3.173800     -0.6183000      0.2233000    
 H    3.428000      0.8548000      -1.348300    
 H    3.384000       1.956600      2.4900001E-02
 H   -4.096000       2.302800      0.2433000    
 H   -4.347900       1.157200      -1.088900    
 H   -5.120500      0.8770000      0.4810000    
 H    5.550500      0.7816000     -9.2299998E-02
 H    4.691600      0.3175000       1.387600    
 H    4.736400     -0.7904000      2.4999999E-03
 H  -0.5866000      -3.022200      0.7269000    


%chk=000018647-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000018647

0 1
O -0.545197 -2.125691 1.012022
O -0.591063 -1.703236 -1.267142
C -0.453041 0.201111 0.312037
C 0.844052 0.829819 -0.273637
C -1.720041 0.953067 -0.188155
C 2.149314 0.210825 0.273374
C -3.041976 0.444311 0.429311
C 3.414949 0.897167 -0.289077
C -0.535811 -1.261862 -0.096209
C -4.262423 1.264216 -0.040674
C 4.722622 0.285200 0.257429
H -0.415393 0.240336 1.416670
H 0.817010 0.731150 -1.376925
H 0.828416 1.914379 -0.044292
H -1.768187 0.872198 -1.292118
H -1.593143 2.027603 0.053387
H 2.156552 0.276973 1.381149
H 2.185600 -0.869807 0.025164
H -2.970038 0.481115 1.535105
H -3.191422 -0.620746 0.161648
H 3.405340 0.825336 -1.395659
H 3.381593 1.979358 -0.047047
H -4.159187 2.329230 0.241259
H -4.371144 1.217135 -1.140455
H -5.199056 0.885753 0.407694
H 5.612268 0.792002 -0.159270
H 4.770043 0.369996 1.359598
H 4.794440 -0.788581 0.001063
H -0.599177 -3.067058 0.687849


