%chk=000086623.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000086623

0 1
 O    2.978300     -0.7052000     -0.4992000    
 O    4.684500      -2.016600      0.3173000    
 C   -1.048400      0.6676000      0.3029000    
 C   0.2349000      0.3679000     -0.4735000    
 C   -2.257300     -2.1199999E-02 -0.3326000    
 C    1.447500       1.028800      0.1812000    
 C   -3.546200      0.3061000      0.4251000    
 C    2.730500      0.7061000     -0.5678000    
 C   -4.758700     -0.3574000     -0.2320000    
 C   -6.080400     -3.6499999E-02  0.4692000    
 C    3.933500       1.298400      5.5599999E-02
 C   -7.291100     -0.6721000     -0.1963000    
 C    4.788900      0.3605000      0.4482000    
 C    4.184100     -0.9264000      0.1020000    
 H   -1.214000       1.751500      0.3312000    
 H  -0.9397000      0.3298000       1.340800    
 H   0.1329000      0.7258000      -1.505300    
 H   0.3793000     -0.7180000     -0.5215000    
 H   -2.101100      -1.106700     -0.3415000    
 H   -2.354300      0.3004000      -1.376800    
 H    1.298500       2.115200      0.2174000    
 H    1.519500      0.6748000       1.218300    
 H   -3.461000     -3.2200001E-02   1.464600    
 H   -3.693700       1.392600      0.4489000    
 H    2.658200      0.9963000      -1.621900    
 H   -4.614200      -1.444900     -0.2450000    
 H   -4.823800     -3.4600001E-02  -1.278600    
 H   -6.222800       1.050500      0.4953000    
 H   -6.029700     -0.3751000       1.510900    
 H    4.100400       2.359700      0.1706000    
 H   -7.201700      -1.763000     -0.2079000    
 H   -8.204800     -0.4103000      0.3461000    
 H   -7.395800     -0.3250000      -1.229000    
 H    5.743100      0.4924000      0.9272000    


%chk=000086623-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000086623

0 1
O 3.073166 -0.761682 -0.460794
O 4.825545 -2.100490 0.339650
C -1.054121 0.673239 0.292695
C 0.257771 0.367772 -0.462555
C -2.292120 0.019005 -0.360868
C 1.487173 1.034858 0.191136
C -3.608993 0.315034 0.391022
C 2.804144 0.706149 -0.541075
C -4.846381 -0.341316 -0.261638
C -6.164130 -0.046364 0.490694
C 4.043932 1.341474 0.055420
C -7.395038 -0.704666 -0.169150
C 4.920696 0.380920 0.448607
C 4.356864 -0.965975 0.145425
H -1.206318 1.772188 0.346214
H -0.965168 0.319663 1.341028
H 0.166317 0.713269 -1.513787
H 0.422878 -0.725706 -0.502657
H -2.139163 -1.078944 -0.414414
H -2.382248 0.370920 -1.410012
H 1.361290 2.137490 0.194420
H 1.581825 0.713982 1.246376
H -3.519159 -0.036614 1.440322
H -3.762925 1.413550 0.444157
H 2.705463 0.944037 -1.619925
H -4.694245 -1.439761 -0.314954
H -4.938666 0.009895 -1.310899
H -6.314403 1.051463 0.544687
H -6.071533 -0.398748 1.538415
H 4.160903 2.424248 0.143073
H -7.282678 -1.804783 -0.207034
H -8.323792 -0.478902 0.386525
H -7.526578 -0.346266 -1.207719
H 5.895093 0.500260 0.921513


