%chk=000031462.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000031462

0 1
 O   -1.537300      -1.190500     -0.3723000    
 O   -2.150500       1.034900      0.1905000    
 O    3.922600      0.2830000     -0.1948000    
 C   0.2055000      0.3914000      0.2858000    
 C  -0.1709000     -0.8278000     -0.5768000    
 C  -0.8158000       1.512400      1.5400000E-02
 C    1.618500      0.8702000     -6.7199998E-02
 C   -2.404900     -9.0099998E-02 -0.6541000    
 C   0.1599000      1.7000000E-03   1.776000    
 C   -3.831300     -0.5472000     -0.4006000    
 C    2.639200     -0.2322000      0.1313000    
 C   -4.017400     -0.9676000       1.058600    
 C   -4.829300      0.5530000     -0.7669000    
 C    4.936600     -0.6996000     -3.1800002E-02
 C    6.275000     -9.1600001E-02 -0.3932000    
 H  -1.5100000E-02 -0.6299000      -1.644700    
 H   0.4160000      -1.713400     -0.3165000    
 H  -0.6683000       2.351100      0.7049000    
 H  -0.7164000       1.908100      -1.003200    
 H    1.896000       1.742800      0.5389000    
 H    1.660600       1.215400      -1.108900    
 H   -2.293100      0.2032000      -1.706800    
 H  -0.8671000     -0.1851000       2.110200    
 H   0.7199000     -0.9145000       1.987800    
 H   0.5625000      0.8024000       2.406700    
 H   -4.035700      -1.426300      -1.025200    
 H    2.667000     -0.5766000       1.169000    
 H    2.443900      -1.084300     -0.5262000    
 H   -3.845700     -0.1359000       1.750100    
 H   -5.039600      -1.326000       1.223400    
 H   -3.340100      -1.783000       1.332300    
 H   -4.713400       1.438500     -0.1331000    
 H   -5.857000      0.1928000     -0.6495000    
 H   -4.702600      0.8614000      -1.810100    
 H    4.957500      -1.042900       1.008700    
 H    4.733000      -1.555500     -0.6849000    
 H    7.080300     -0.8226000     -0.2787000    
 H    6.268600      0.2679000      -1.427500    
 H    6.490000      0.7734000      0.2429000    


%chk=000031462-Freq.chk
%nprocshared=8
%mem=21GB
#p freq=noraman PBEPBE/SDD

000031462

0 1
O -1.676852 -1.264417 -0.322743
O -2.159931 1.022400 0.270544
O 4.006415 0.271195 -0.247791
C 0.217616 0.222526 0.388035
C -0.245479 -0.957783 -0.513519
C -0.748792 1.406778 0.092731
C 1.648266 0.680214 -0.013516
C -2.500064 -0.091422 -0.616845
C 0.119210 -0.166243 1.883025
C -3.975821 -0.463334 -0.420966
C 2.763854 -0.344087 0.233124
C -4.271630 -0.865005 1.041999
C -4.884122 0.694499 -0.895559
C 5.177434 -0.596382 -0.051411
C 6.398316 0.146905 -0.592382
H -0.060330 -0.707620 -1.583946
H 0.278401 -1.895545 -0.267261
H -0.582490 2.241943 0.793924
H -0.593616 1.770051 -0.949425
H 1.905546 1.601728 0.545821
H 1.669834 0.948343 -1.089353
H -2.289256 0.229231 -1.669556
H -0.933507 -0.348890 2.156590
H 0.691561 -1.085898 2.103586
H 0.512103 0.644426 2.525499
H -4.146698 -1.344510 -1.071740
H 2.856325 -0.588018 1.314067
H 2.577161 -1.292599 -0.319951
H -4.106326 -0.007824 1.717819
H -5.322350 -1.193302 1.143230
H -3.613409 -1.690988 1.361627
H -4.696501 1.601466 -0.294402
H -5.948172 0.417441 -0.785630
H -4.706371 0.944110 -1.959143
H 5.297189 -0.826771 1.031401
H 5.026357 -1.559597 -0.589614
H 7.310603 -0.465061 -0.470372
H 6.267263 0.373201 -1.664629
H 6.539363 1.099839 -0.053766


