%chk=000016491.chk
%nprocshared=8
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000016491

0 1
 O    7.014700      7.6800004E-02  0.1759000    
 O    9.312600       1.492900     -0.5608000    
 C   -1.768900     -0.5118000     -8.0899999E-02
 C   -3.053800      0.2312000      0.3007000    
 C  -0.4923000      0.2428000      0.2989000    
 C   -4.364700     -0.4662000     -8.0100000E-02
 C   0.7578000     -0.5536000     -8.2400002E-02
 C   -5.611000      0.3488000      0.2730000    
 C    2.066600      0.1643000      0.2650000    
 C   -6.916900     -0.3142000     -0.1786000    
 C    3.315800     -0.6648000     -4.8799999E-02
 C   -8.193400      0.4981000      6.4999998E-02
 C    4.621900      7.9700001E-02  0.2337000    
 C   -9.470200     -0.2311000     -0.3553000    
 C    5.870600     -0.7012000     -0.1532000    
 C   -10.70520      0.6192000     -9.9900000E-02
 C    8.218400     -0.5985000     -0.1617000    
 C    9.398100      0.2874000      0.1894000    
 H   -1.770400      -1.494200      0.4072000    
 H   -1.772300     -0.6960000      -1.162400    
 H   -3.035100       1.221700     -0.1720000    
 H   -3.051400      0.4061000       1.384000    
 H  -0.4881000      0.4380000       1.377900    
 H  -0.4770000       1.215800     -0.2063000    
 H   -4.413200      -1.440500      0.4211000    
 H   -4.358300     -0.6650000      -1.158800    
 H   0.7413000     -0.7641000      -1.158900    
 H   0.7358000      -1.523400      0.4302000    
 H   -5.537100       1.338200     -0.1950000    
 H   -5.645200      0.5128000       1.356700    
 H    2.067000      0.4198000       1.331800    
 H    2.110900       1.110900     -0.2875000    
 H   -7.010600      -1.281500      0.3312000    
 H   -6.847600     -0.5359000      -1.251200    
 H    3.292900     -0.9568000      -1.106000    
 H    3.293200      -1.591900      0.5368000    
 H   -8.255400      0.7496000       1.131100    
 H   -8.119400       1.447500     -0.4796000    
 H    4.624800       1.038100     -0.3014000    
 H    4.674600      0.3397000       1.298700    
 H   -9.419100     -0.4836000      -1.420600    
 H   -9.558700      -1.173000      0.1982000    
 H    5.863000     -0.9104000      -1.229200    
 H    5.902300      -1.651000      0.3930000    
 H   -10.80070      0.8631000      0.9630000    
 H   -10.66060       1.555600     -0.6651000    
 H   -11.60660      7.9700001E-02 -0.4070000    
 H    8.220300     -0.8063000      -1.238100    
 H    8.283700      -1.542300      0.3907000    
 H    9.379700      0.5520000       1.251300    
 H    10.34250     -0.2109000     -4.7600001E-02
 H    10.07970       2.037100     -0.3138000    


%chk=000016491-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000016491

0 1
O 7.122765 -0.015215 0.327635
O 9.347119 1.572881 -0.322787
C -1.771102 -0.469778 -0.213152
C -3.037467 0.345187 0.133627
C -0.455804 0.254787 0.151631
C -4.352064 -0.389047 -0.214232
C 0.809074 -0.560267 -0.200313
C -5.619795 0.425367 0.128862
C 2.123997 0.153615 0.185418
C -6.933435 -0.316265 -0.207377
C 3.387328 -0.660761 -0.173614
C -8.202687 0.496832 0.133361
C 4.696949 0.050470 0.237570
C -9.515480 -0.249688 -0.197337
C 5.942149 -0.759422 -0.133512
C -10.778650 0.569910 0.144772
C 8.394166 -0.677914 -0.006289
C 9.488456 0.308929 0.404856
H -1.808614 -1.446078 0.314263
H -1.772021 -0.703486 -1.298608
H -3.007059 1.316530 -0.403133
H -3.030712 0.589100 1.216831
H -0.453737 0.483233 1.238155
H -0.419041 1.233396 -0.371231
H -4.382742 -1.358633 0.325852
H -4.357870 -0.636819 -1.296579
H 0.814180 -0.776049 -1.289431
H 0.763722 -1.544767 0.311005
H -5.594286 1.391404 -0.417671
H -5.610119 0.680222 1.209524
H 2.120945 0.362657 1.275534
H 2.168193 1.140613 -0.320290
H -6.958840 -1.281332 0.341087
H -6.942486 -0.573332 -1.287586
H 3.395916 -0.856185 -1.266503
H 3.333024 -1.653342 0.320768
H -8.193428 0.757707 1.212646
H -8.181781 1.460059 -0.418454
H 4.756821 1.042856 -0.250236
H 4.702797 0.228868 1.330266
H -9.523473 -0.511038 -1.275425
H -9.535811 -1.211296 0.355228
H 6.000775 -0.913296 -1.234940
H 5.918909 -1.760562 0.353077
H -10.811274 0.815822 1.223161
H -10.795501 1.523636 -0.416043
H -11.702640 0.015657 -0.103467
H 8.440087 -0.875611 -1.099288
H 8.490470 -1.640834 0.542075
H 9.439082 0.475222 1.501664
H 10.485154 -0.085396 0.144742
H 8.390841 1.830156 -0.243814


