%chk=000085979.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000085979

0 1
 O   -1.563100       1.854900      0.8471000    
 C   -1.252100     -0.9352000      0.2364000    
 C   0.1750000     -0.4324000      8.3300002E-02
 C   -2.285500     -5.1300000E-02 -0.4834000    
 C   -1.364300      -2.381600     -0.2599000    
 C    1.062300     -0.6120000       1.125600    
 C   0.5419000      0.1895000      -1.093400    
 C   -2.301600       1.386900     -1.2400000E-02
 C    2.371100     -0.1504000      0.9852000    
 C    1.850800      0.6507000      -1.233800    
 C    2.765400      0.4808000     -0.1946000    
 H   -1.504100     -0.9218000       1.306200    
 H   -2.167200     -5.6800000E-02  -1.571600    
 H   -3.290200     -0.4453000     -0.2835000    
 H  -0.6733000      -3.038600      0.2801000    
 H   -2.378200      -2.766700     -0.1078000    
 H   -1.129500      -2.458700      -1.327600    
 H   0.7646000      -1.104000       2.046600    
 H  -0.1290000      0.3179000      -1.934400    
 H   -3.055000       2.025400     -0.5057000    
 H    3.083600     -0.2835000       1.794000    
 H    2.160000       1.136900      -2.154600    
 H    3.785000      0.8385000     -0.3045000    


%chk=000085979-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000085979

0 1
O -2.084459 1.278971 1.801435
C -1.244353 -0.983529 0.139012
C 0.197277 -0.478692 0.000513
C -2.258597 0.086373 -0.348458
C -1.472076 -2.327660 -0.597330
C 0.945754 -0.115901 1.148625
C 0.811382 -0.349652 -1.273639
C -2.471996 1.248626 0.609007
C 2.274071 0.353897 1.030804
C 2.137424 0.121111 -1.396299
C 2.876041 0.473470 -0.242475
H -1.439067 -1.141762 1.217100
H -1.971049 0.496108 -1.338284
H -3.261542 -0.373312 -0.501912
H -0.744344 -3.086466 -0.259677
H -2.489721 -2.713519 -0.399289
H -1.361286 -2.221473 -1.692713
H 0.475427 -0.187029 2.136014
H 0.256277 -0.626027 -2.179158
H -3.044545 2.111146 0.177091
H 2.835125 0.630204 1.930880
H 2.595364 0.210884 -2.388267
H 3.905494 0.837431 -0.335680


