%chk=000031829.chk
%nprocshared=8
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000031829

0 1
 O   -2.645700     -0.7077000      -1.865200    
 O  -0.2966000       1.826800     -0.7080000    
 O   -3.392600     -0.6111000       1.359300    
 O   -2.332400       2.555100       1.052000    
 O    1.450700      -2.289700     -0.4831000    
 O   0.6587000      -2.189900       1.909200    
 O    3.760600      -1.028200     -0.5383000    
 C   -1.186900     -0.7439000      0.1749000    
 C   -1.518000     -0.1420000      -1.179100    
 C   0.3346000     -0.3069000      0.4752000    
 C   -1.616300       1.324800     -0.9404000    
 C   -2.177500      9.1499999E-02   1.097500    
 C   -1.380400     -0.7851000      -2.537300    
 C   -2.523100       1.373500      0.2977000    
 C   0.4199000       1.260400      0.4043000    
 C   -1.450700      -2.252200      0.2694000    
 C    1.352100     -0.8768000     -0.5617000    
 C   0.7618000     -0.7873000       1.892400    
 C    1.817200       1.807200      0.3104000    
 C    2.762500     -0.3287000     -0.3674000    
 C    2.913900       1.110400     -1.4700000E-02
 C    4.288000       1.699900     -4.7200002E-02
 H   -2.047000       1.883500      -1.777100    
 H   -1.753400      0.3384000       2.073200    
 H   -1.229000     -0.1435000      -3.395700    
 H  -0.9174000      -1.759700      -2.614200    
 H   -3.575800       1.340300     -1.0300000E-02
 H   1.3000000E-03   1.683500       1.324900    
 H   -2.449700      -2.492400     -0.1167000    
 H  -0.7718000      -2.853400     -0.3356000    
 H   -1.454400      -2.622300       1.297400    
 H    1.073600     -0.6217000      -1.587600    
 H   0.1246000     -0.3785000       2.680300    
 H    1.792600     -0.5113000       2.134300    
 H    1.922600       2.864700      0.5459000    
 H   -3.192200      -1.313700       2.000600    
 H   -2.477400       3.308800      0.4551000    
 H    1.822900      -2.528500      0.3819000    
 H   0.9223000      -2.489700       2.795700    
 H    4.724100       1.598400      -1.046300    
 H    4.939700       1.191300      0.6708000    
 H    4.282800       2.765400      0.2058000    


%chk=000031829-Freq.chk
%nprocshared=8
%mem=21GB
#p freq=noraman PBEPBE/SDD

000031829

0 1
O -2.728797 -0.848134 -1.969961
O -0.281560 1.810058 -0.825914
O -3.486563 -0.480338 1.392605
O -2.268552 2.607853 1.059486
O 1.233137 -2.247516 -0.887403
O 1.327016 -2.135577 1.890774
O 3.652286 -1.224838 0.072546
C -1.236097 -0.746456 0.189785
C -1.584996 -0.217715 -1.216392
C 0.273074 -0.307947 0.480728
C -1.654183 1.292030 -1.027178
C -2.202068 0.151660 1.094301
C -1.314849 -0.882265 -2.518573
C -2.529345 1.413075 0.253761
C 0.367710 1.262167 0.411662
C -1.523344 -2.246958 0.370983
C 1.305309 -0.837341 -0.586586
C 0.717638 -0.783438 1.905967
C 1.775715 1.814080 0.357098
C 2.715510 -0.397165 -0.127551
C 2.893032 1.071366 0.097733
C 4.300417 1.620271 0.098210
H -2.041715 1.844035 -1.898150
H -1.710734 0.453309 2.041309
H -1.162457 -0.267170 -3.414856
H -0.847081 -1.873213 -2.524523
H -3.596182 1.351701 -0.037402
H -0.164044 1.709898 1.275941
H -2.586195 -2.437065 0.147336
H -0.917143 -2.848661 -0.321377
H -1.293610 -2.593603 1.395523
H 1.103798 -0.322006 -1.542870
H -0.151432 -0.861559 2.579462
H 1.429509 -0.061869 2.351366
H 1.865856 2.892832 0.538673
H -3.339607 -1.285181 1.950341
H -2.308936 3.409458 0.479813
H 1.372028 -2.728830 -0.024689
H 2.315255 -2.056024 1.895613
H 4.764415 1.504747 -0.898997
H 4.937108 1.053874 0.801351
H 4.318878 2.688155 0.372354


