%chk=000062727.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000062727

0 1
 O   -2.607700     -0.5874000     -0.1676000    
 O   -4.205200      -2.194700      0.1923000    
 C   -2.624100      0.8263000     -0.4098000    
 C   -3.900100       1.304800      0.2454000    
 C   -1.376100       1.463000      0.1714000    
 C   -4.832900      0.1390000      1.8900000E-02
 C   -3.887500      -1.025300      4.1800000E-02
 C    3.292600      0.1738000      0.3607000    
 C    2.031600     -0.3954000     -0.2926000    
 C  -0.1325000      0.8662000     -0.4182000    
 C    4.557300     -0.4185000     -0.2642000    
 C   0.7919000      0.2102000      0.2987000    
 C    5.817300      0.1245000      0.4096000    
 C    7.075400     -0.4866000     -0.1865000    
 H   -2.662400      0.9758000      -1.496700    
 H   -4.272100       2.243400     -0.1749000    
 H   -3.758600       1.450000       1.323800    
 H   -1.380600       2.542000     -2.1700000E-02
 H   -1.364100       1.331400       1.261100    
 H   -5.316100      0.1883000     -0.9610000    
 H   -5.576900      5.9400000E-02  0.8147000    
 H    3.280300     -3.9000001E-02   1.437200    
 H    3.308500       1.265600      0.2501000    
 H    2.068100     -0.2262000      -1.375700    
 H    1.994700      -1.480700     -0.1402000    
 H   1.1500000E-02  0.9926000      -1.488400    
 H    4.583300     -0.1857000      -1.335700    
 H    4.534200      -1.511200     -0.1713000    
 H   0.6457000      8.0100000E-02   1.368200    
 H    5.858100       1.214400      0.2992000    
 H    5.788500     -9.2000000E-02   1.483800    
 H    7.964000     -8.3400004E-02  0.3091000    
 H    7.080700      -1.574100     -6.1500002E-02
 H    7.151500     -0.2629000      -1.255400    


%chk=000062727-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000062727

0 1
O -2.769796 -0.682478 0.005325
O -4.430860 -2.205672 0.575574
C -2.701099 0.767924 -0.393883
C -4.031735 1.375616 0.122789
C -1.428152 1.388622 0.203844
C -5.011083 0.183600 0.082694
C -4.110890 -1.048151 0.263553
C 3.368475 0.172511 0.318043
C 2.100814 -0.303334 -0.441285
C -0.144740 0.909799 -0.442602
C 4.676030 -0.389408 -0.283254
C 0.815572 0.187376 0.188257
C 5.942288 0.067564 0.476720
C 7.245340 -0.498253 -0.128455
H -2.660801 0.780333 -1.501053
H -4.354354 2.230704 -0.493751
H -3.898442 1.728843 1.161820
H -1.523575 2.489826 0.086902
H -1.416460 1.176556 1.289654
H -5.517799 0.095433 -0.897182
H -5.790082 0.199645 0.860385
H 3.292101 -0.134560 1.381944
H 3.400702 1.280741 0.314347
H 2.153978 0.024702 -1.498358
H 2.100679 -1.414326 -0.453162
H -0.006176 1.170918 -1.504318
H 4.755945 -0.079861 -1.346523
H 4.631644 -1.498874 -0.285902
H 0.663570 -0.081635 1.246369
H 5.985144 1.175948 0.480306
H 5.860749 -0.243253 1.538440
H 8.134580 -0.160113 0.434845
H 7.239009 -1.604626 -0.118074
H 7.367722 -0.174416 -1.179408


