%chk=000176971.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000176971

0 1
 O    3.589600      -1.743200     -0.1956000    
 O  -0.8211000      -1.979900     -0.4034000    
 O    1.483800       2.222000     -0.5518000    
 O   -3.070800       2.135100      0.8012000    
 O   -1.943400      -3.974800     -0.3244000    
 C    3.782800     -0.4602000      0.4136000    
 C    2.422300      -1.035600      0.2143000    
 C    1.566500     -0.5974000     -0.9400000    
 C    4.335400      0.5537000     -0.5164000    
 C    4.399600     -0.5376000       1.759600    
 C   0.3389000      0.1182000     -0.4802000    
 C  -0.8368000     -0.5823000     -0.2184000    
 C   0.3542000       1.500300     -0.3066000    
 C   -1.993600      6.2700003E-02  0.2112000    
 C  -0.7970000       2.164200      0.1241000    
 C   -1.969500       1.448500      0.3830000    
 C   -3.184600     -0.7299000      0.4651000    
 C   -1.948900      -2.758900     -0.1664000    
 C   -3.161700      -2.053000      0.2871000    
 C    1.409100       3.631300     -0.3478000    
 C   -3.954900       2.616800     -0.2082000    
 H    1.871500      -1.450400       1.047800    
 H    1.284600      -1.489300      -1.514800    
 H    2.092600      1.9700000E-02  -1.673800    
 H    4.150700      0.3316000      -1.571500    
 H    3.941200       1.547000     -0.2878000    
 H    5.425200      0.6099000     -0.4096000    
 H    3.960900      -1.332700       2.372500    
 H    5.474400     -0.7344000       1.684900    
 H    4.263400      0.4073000       2.295900    
 H  -0.8477000       3.237100      0.2795000    
 H   -4.092400     -0.2454000      0.8056000    
 H   -4.046000      -2.651800      0.4767000    
 H    2.394300       4.043300     -0.5905000    
 H    1.213000       3.878100      0.7012000    
 H   0.6928000       4.101600      -1.030200    
 H   -4.314100       1.798500     -0.8400000    
 H   -3.454100       3.371300     -0.8233000    
 H   -4.814300       3.081500      0.2828000    


%chk=000176971-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000176971

0 1
O 3.974871 -1.423457 -0.527011
O -0.467510 -2.049261 -0.340578
O 1.273490 2.270641 -1.383819
O -3.256680 1.796500 0.549372
O -1.197329 -4.194951 0.103364
C 3.541810 -0.522242 0.631178
C 2.506653 -1.200770 -0.226575
C 1.701910 -0.529203 -1.338794
C 3.907598 0.943717 0.462429
C 3.839503 -1.115372 2.001498
C 0.415761 0.113664 -0.844864
C -0.657003 -0.662035 -0.349787
C 0.208977 1.518849 -0.870713
C -1.887533 -0.109266 0.115515
C -0.997183 2.125255 -0.416226
C -2.033169 1.311316 0.075592
C -2.911854 -1.000941 0.595745
C -1.492145 -2.986138 0.141686
C -2.725854 -2.368248 0.608403
C 1.126236 3.725407 -1.482193
C -3.475846 3.245356 0.533218
H 2.019538 -2.087685 0.201517
H 1.456341 -1.315441 -2.077877
H 2.322624 0.223963 -1.845922
H 3.630991 1.329533 -0.530508
H 3.392506 1.556733 1.226544
H 4.997028 1.075062 0.598289
H 3.619678 -2.196331 2.016396
H 4.905151 -0.978169 2.262477
H 3.228822 -0.622243 2.781572
H -1.113396 3.209635 -0.451991
H -3.849242 -0.564456 0.952575
H -3.494817 -3.054967 0.970037
H 2.071103 4.076260 -1.921545
H 0.987107 4.184089 -0.484437
H 0.283198 3.999179 -2.145113
H -3.434934 3.643769 -0.498694
H -2.735534 3.768074 1.168875
H -4.484967 3.387076 0.945764


