%chk=000088556.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000088556

0 1
 O    1.210600     -0.4202000      0.3610000    
 O   -1.468900       1.488200       1.152400    
 C    1.379400       1.004800      0.4533000    
 C    2.510000      -1.046900      0.3532000    
 C    2.812200       1.289300      4.1499998E-02
 C    3.527100      7.3700003E-02  0.5855000    
 C   0.3507000       1.700400     -0.4166000    
 C    2.554800      -2.090300       1.466700    
 C    2.683100      -1.705300     -0.9852000    
 C   0.5102000       3.216500     -0.3466000    
 C   -1.053300       1.278300      1.2700000E-02
 C   -1.890800      0.5727000      -1.047500    
 C    1.737400      -1.739800      -1.930200    
 C   -3.275000      0.2858000     -0.5510000    
 C   -3.706300     -0.8400000      4.8999999E-02
 C   -5.111900      -1.071600      0.5275000    
 C   -2.769100      -1.995600      0.2742000    
 H    1.237500       1.266600       1.510300    
 H    3.198500       2.226800      0.4515000    
 H    2.916300       1.321800      -1.049600    
 H    4.496500     -9.8600000E-02  0.1071000    
 H    3.709700      0.2191000       1.657900    
 H   0.4779000       1.382300      -1.459200    
 H    1.790600      -2.862000       1.314700    
 H    3.533200      -2.578900       1.526100    
 H    2.335600      -1.632600       2.438300    
 H    3.637300      -2.184800      -1.190200    
 H    1.457600       3.543000     -0.7863000    
 H   0.4682000       3.575300      0.6878000    
 H  -0.2984000       3.712200     -0.8953000    
 H   -1.372900     -0.3300000      -1.378800    
 H   -1.966900       1.236800      -1.916200    
 H    1.940900      -2.237900      -2.873000    
 H   0.7564000      -1.298400      -1.815700    
 H   -3.991600       1.093800     -0.6905000    
 H   -5.545800      -1.943600      2.7799999E-02
 H   -5.124000      -1.244300       1.608400    
 H   -5.756100     -0.2112000      0.3189000    
 H   -1.711300      -1.750800      0.1553000    
 H   -3.011000      -2.813500     -0.4124000    
 H   -2.879600      -2.369100       1.298700    


%chk=000088556-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000088556

0 1
O 1.014813 -0.341409 0.217921
O -1.665197 2.230469 0.793531
C 1.287869 1.117088 0.399823
C 2.294862 -1.114636 0.278024
C 2.801482 1.269329 0.142651
C 3.365585 -0.058056 0.697627
C 0.354131 1.925295 -0.541490
C 2.114304 -2.241800 1.314884
C 2.615636 -1.701686 -1.093754
C 0.638245 3.440157 -0.428903
C -1.112115 1.615148 -0.154665
C -1.801094 0.511433 -0.964310
C 1.897893 -1.517079 -2.226827
C -3.184834 0.131563 -0.493985
C -3.529563 -0.999616 0.184812
C -4.972280 -1.248768 0.594937
C -2.551940 -2.085281 0.601942
H 1.043692 1.384217 1.450433
H 3.227764 2.152873 0.646003
H 2.998159 1.350043 -0.942706
H 4.365797 -0.297035 0.298337
H 3.433119 -0.015040 1.801170
H 0.543369 1.570382 -1.573629
H 1.291859 -2.912446 1.012020
H 3.037224 -2.844265 1.407197
H 1.870951 -1.813003 2.302633
H 3.515151 -2.337292 -1.111809
H 1.689458 3.670179 -0.675637
H 0.419617 3.795602 0.592917
H -0.006609 4.009424 -1.121677
H -1.099350 -0.344542 -0.962810
H -1.830309 0.865406 -2.019145
H 2.193568 -1.982986 -3.173334
H 0.988342 -0.907160 -2.218133
H -3.975594 0.864723 -0.706337
H -5.344274 -2.208038 0.182024
H -5.062003 -1.321989 1.697155
H -5.642390 -0.442267 0.250207
H -1.500691 -1.830185 0.391444
H -2.788718 -3.043271 0.096306
H -2.637128 -2.273482 1.690653


