%chk=000031647.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000031647

0 1
 O  -0.2093000     -0.7100000       1.967200    
 O    1.882100      -3.439400     -0.7373000    
 O    2.836300      -1.968800      0.7054000    
 C    1.550900      0.2484000     -0.5162000    
 C   0.7164000      0.7928000      0.4326000    
 C    1.365600      -1.135700      -1.047800    
 C  -0.4250000     -1.0400000E-02  0.9664000    
 C    2.609200       1.019200     -0.9976000    
 C   0.8829000       2.067300      0.9270000    
 C   -1.744900      9.8000001E-03  0.3565000    
 C    2.804500       2.313900     -0.5166000    
 C    1.941400       2.837900      0.4455000    
 C   -1.980900      0.7987000     -0.7696000    
 C   -2.775100     -0.7599000      0.8970000    
 C    2.110800      -2.189500     -0.2546000    
 C   -3.246900      0.8179000      -1.354900    
 C   -4.041000     -0.7406000      0.3115000    
 C   -4.276800      4.8300002E-02 -0.8144000    
 H    1.732200      -1.181000      -2.081400    
 H   0.3075000      -1.412400      -1.087600    
 H    3.291600      0.6237000      -1.745400    
 H   0.2144000       2.480100       1.676400    
 H    3.628900       2.913800     -0.8907000    
 H    2.093500       3.845900      0.8201000    
 H   -1.208400       1.412200      -1.223300    
 H   -2.617500      -1.383200       1.773200    
 H   -3.431000       1.431800      -2.231800    
 H   -4.843300      -1.339900      0.7320000    
 H   -5.262500      6.3199997E-02  -1.270300    
 H    2.364500      -4.122700     -0.2247000    


%chk=000031647-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000031647

0 1
O -0.230757 -1.695676 0.411662
O 2.354433 -3.627487 -0.283871
O 3.019438 -1.940971 1.166351
C 1.886663 0.055945 -0.666227
C 0.638950 0.492107 -0.116646
C 2.134155 -1.380240 -1.094374
C -0.481176 -0.480756 0.122424
C 2.928855 1.000237 -0.813104
C 0.491247 1.847328 0.290979
C -1.912973 -0.027554 0.025418
C 2.773714 2.343228 -0.404742
C 1.549806 2.768041 0.158427
C -2.326656 1.032197 -0.826916
C -2.893155 -0.750420 0.758381
C 2.533876 -2.282750 0.069694
C -3.694436 1.365903 -0.934603
C -4.255328 -0.405067 0.662970
C -4.660121 0.655503 -0.184351
H 2.963038 -1.415231 -1.828379
H 1.256178 -1.842338 -1.573193
H 3.883387 0.672178 -1.240955
H -0.451696 2.168784 0.744654
H 3.604037 3.048788 -0.518265
H 1.423436 3.802446 0.495126
H -1.585652 1.572882 -1.424903
H -2.561376 -1.581478 1.389459
H -4.006861 2.174380 -1.604594
H -5.002189 -0.959988 1.241023
H -5.720347 0.920754 -0.263906
H 2.611610 -4.199344 0.489063


