%chk=000113943.chk
%nprocshared=8
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000113943

0 1
 O   0.9798000      0.7562000      0.4914000    
 O   -1.420600      -1.656000      0.6938000    
 O    3.310100       1.765800     -0.6811000    
 O    4.482600     -0.6561000      -1.350400    
 C    3.383800      0.7137000      0.2838000    
 C    2.194700      0.8334000       1.230000    
 C  -0.1525000      0.8199000       1.346200    
 C   -1.399000      0.7343000      0.5151000    
 C   -1.972900     -0.5004000      0.2292000    
 C    3.368600     -0.6126000     -0.4648000    
 C   -1.971600       1.907800      3.5100002E-02
 C   -3.131700     -0.5620000     -0.5448000    
 C   -3.130300       1.846000     -0.7392000    
 C   -3.710300      0.6112000      -1.029100    
 C   -1.006200      -2.613000     -0.2790000    
 C   0.1754000      -3.388100      0.2639000    
 H    4.326800      0.8364000      0.8263000    
 H    2.230600       1.804800       1.737100    
 H    2.229000      3.5799999E-02   1.981200    
 H  -0.1414000       1.762600       1.908300    
 H  -0.1194000      7.8999996E-03   2.082900    
 H    2.466600     -0.7350000      -1.073200    
 H    3.444800      -1.458200      0.2250000    
 H   -1.528000       2.875700      0.2520000    
 H   -3.599900      -1.515800     -0.7722000    
 H   -3.580800       2.759400      -1.116400    
 H   -4.613400      0.5634000      -1.630400    
 H   -1.838100      -3.295600     -0.4832000    
 H  -0.7135000      -2.121400      -1.215200    
 H    2.458500       1.685500      -1.144100    
 H   0.5174000      -4.136100     -0.4567000    
 H    1.005800      -2.712500      0.4939000    
 H  -9.1100000E-02  -3.893000       1.198100    
 H    4.405300      0.1030000      -1.953400    


%chk=000113943-Freq.chk
%nprocshared=8
%mem=21GB
#p freq=noraman PBEPBE/SDD

000113943

0 1
O 1.071115 1.061436 0.570006
O -0.809487 -1.414037 0.347415
O 3.323610 1.804928 -0.684961
O 4.276677 -0.625849 -1.617258
C 3.409504 0.682882 0.277417
C 2.305801 0.824590 1.334715
C -0.149387 1.071593 1.409607
C -1.348592 0.911006 0.510448
C -1.663973 -0.369648 -0.034269
C 3.319871 -0.642127 -0.510402
C -2.173395 2.007591 0.180114
C -2.779271 -0.531892 -0.891511
C -3.291236 1.858678 -0.673944
C -3.585819 0.585826 -1.207047
C -1.044620 -2.755349 -0.227323
C 0.060557 -3.662823 0.305584
H 4.408662 0.774390 0.738352
H 2.511524 1.683143 2.008251
H 2.216433 -0.103184 1.939991
H -0.200446 2.027710 1.971174
H -0.086486 0.229485 2.128498
H 2.279319 -0.784484 -0.872640
H 3.604014 -1.497322 0.128680
H -1.930163 2.993147 0.595325
H -3.028078 -1.509866 -1.312768
H -3.918304 2.721532 -0.919675
H -4.446841 0.454579 -1.872027
H -2.048099 -3.117015 0.077913
H -1.011351 -2.689299 -1.333637
H 2.349272 1.971816 -0.815873
H -0.062920 -4.685454 -0.094587
H 1.051997 -3.286829 -0.000136
H 0.028776 -3.713268 1.407484
H 4.220437 0.291114 -2.002816


