%chk=000031175.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000031175

0 1
 O  -0.1844000      -1.508800      0.1606000    
 O   -2.000700      -2.764600     -0.5269000    
 O    4.126400      -1.971000      0.9294000    
 C   -2.646500      0.5205000     -0.4030000    
 C   -3.707900     -0.4857000     -0.1104000    
 C   -2.346300     -0.6591000      0.4748000    
 C   -2.803500       1.868000      0.2178000    
 C   -1.994000      0.5633000      -1.744800    
 C   -4.812700     -0.1410000      0.8010000    
 C   -1.508500      -1.765500     -2.2500001E-02
 C   -5.952100      0.4694000      0.4587000    
 C   -6.298400      0.9116000     -0.9347000    
 C   -7.060300      0.8066000       1.415400    
 C   -7.516700       1.802000     -0.7192000    
 C   -8.209500       1.186700      0.4891000    
 C   0.7076000      -2.531700     -0.2935000    
 C    2.135100      -2.170100     -5.5199999E-02
 C    2.978400      -1.477100     -0.9387000    
 C    2.862900      -2.452800       1.064000    
 C    4.188400      -1.378700     -0.2921000    
 C    5.479000     -0.7794000     -0.6594000    
 C    5.627700      0.6833000     -0.2509000    
 C    6.154200      0.9754000      0.9886000    
 C    5.230300       1.662400      -1.135200    
 C    6.289900       2.312400       1.362200    
 C    5.366000       2.999400     -0.7618000    
 C    5.895700       3.324400      0.4871000    
 H   -4.006600      -1.144800     -0.9199000    
 H   -2.217600     -0.4589000       1.535200    
 H   -3.093500       1.832500       1.273500    
 H   -1.852400       2.412100      0.1800000    
 H   -3.544100       2.466900     -0.3223000    
 H   -2.046800     -0.3938000      -2.275000    
 H   -2.484700       1.305500      -2.384500    
 H  -0.9389000      0.8427000      -1.653600    
 H   -4.684800     -0.4230000       1.844300    
 H   -6.572200      4.2599998E-02  -1.543800    
 H   -5.494500       1.460400      -1.432500    
 H   -7.331700     -3.0300001E-02   2.065300    
 H   -6.771900       1.665600       2.031500    
 H   -8.166500       1.833400      -1.598900    
 H   -7.202400       2.828500     -0.4924000    
 H   -8.910500       1.880000      0.9634000    
 H   -8.768400      0.2916000      0.1889000    
 H   0.4750000      -3.467700      0.2302000    
 H   0.5480000      -2.693300      -1.367200    
 H    2.745100      -1.093300      -1.921800    
 H    2.652600      -2.958100       1.995400    
 H    5.629600     -0.8625000      -1.744200    
 H    6.301500      -1.358700     -0.2186000    
 H    6.461400      0.1926000       1.675500    
 H    4.815600       1.416900      -2.108200    
 H    6.701800       2.565400       2.334800    
 H    5.058700       3.787500      -1.443000    
 H    6.001100       4.365500      0.7780000    


%chk=000031175-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000031175

0 1
O -0.293103 -1.055206 -0.520003
O -2.025083 -2.059535 -1.728275
O 3.812467 -2.223057 1.031896
C -2.902996 0.981618 -2.260313
C -3.713754 0.424380 -1.078652
C -2.147434 0.306381 -1.072335
C -2.703053 2.491299 -2.394475
C -3.005777 0.255677 -3.600298
C -4.400776 1.264776 -0.064622
C -1.540062 -1.039630 -1.171157
C -5.546396 0.918067 0.583794
C -6.333007 -0.388329 0.417148
C -6.252808 1.786732 1.629544
C -7.637408 -0.171868 1.236210
C -7.207807 0.805966 2.361933
C 0.429449 -2.372306 -0.541655
C 1.842953 -2.124507 -0.126256
C 2.837199 -1.327499 -0.824927
C 2.472931 -2.645057 0.990590
C 4.016699 -1.397173 -0.106444
C 5.381306 -0.790381 -0.253071
C 5.581027 0.526863 0.508506
C 5.260086 0.627060 1.886729
C 6.114186 1.660459 -0.152938
C 5.470200 1.836096 2.585826
C 6.326372 2.871894 0.545406
C 6.004829 2.963441 1.918486
H -4.196576 -0.536448 -1.295520
H -1.605917 0.987442 -0.409841
H -2.555090 2.990180 -1.421253
H -1.816218 2.704902 -3.019672
H -3.582810 2.953255 -2.881316
H -3.103085 -0.834843 -3.470938
H -3.887033 0.625010 -4.158254
H -2.108632 0.447881 -4.219614
H -3.937005 2.232182 0.177042
H -5.753842 -1.235380 0.838157
H -6.533490 -0.636544 -0.641469
H -5.545178 2.297497 2.307229
H -6.851145 2.575864 1.128067
H -8.062647 -1.116161 1.619323
H -8.405884 0.309523 0.600724
H -8.061949 1.314843 2.842729
H -6.655336 0.255026 3.147568
H -0.089072 -3.063617 0.146191
H 0.348732 -2.781702 -1.564920
H 2.676932 -0.757199 -1.738048
H 2.153475 -3.294836 1.800822
H 5.574671 -0.623245 -1.327674
H 6.130178 -1.530418 0.092437
H 4.841917 -0.242398 2.406699
H 6.364954 1.597260 -1.219413
H 5.216956 1.899760 3.650340
H 6.738888 3.740031 0.018682
H 6.166964 3.901172 2.461770


