%chk=000176729.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000176729

0 1
 O   -1.435200       2.478300     -0.1755000    
 O    1.896500      -1.641600      0.9173000    
 C   -1.607300      -3.014500      0.2920000    
 C   -2.251400      -1.998200     -0.6715000    
 C   -2.603500     -0.6630000     -6.8000001E-03
 C   -3.254700      0.2970000      -1.008300    
 C   -3.707100       1.629000     -0.3757000    
 C  -0.3562000      -2.489500       1.021000    
 C   -1.309700      -4.318600     -0.4556000    
 C   -2.646400       2.262100      0.5346000    
 C   -5.008300       1.401400      0.4025000    
 C   0.8105000      -2.099400      0.1190000    
 C  -0.4320000       3.038800      0.6611000    
 C    2.696900     -0.6735000      0.3717000    
 C   0.8289000       3.244500     -0.1509000    
 C    2.873800     -0.6117000      -1.010700    
 C    3.335800      0.2507000       1.198400    
 C    3.689600      0.3740000      -1.566100    
 C    4.151600       1.236400      0.6428000    
 C    4.328500       1.297900     -0.7394000    
 H   -2.349000      -3.249800       1.067500    
 H   -1.586800      -1.816500      -1.525200    
 H   -3.167500      -2.439200      -1.085600    
 H   -3.272300     -0.8504000      0.8398000    
 H   -1.689100     -0.2082000      0.3834000    
 H   -4.105800     -0.1895000      -1.500800    
 H   -2.527200      0.5164000      -1.800600    
 H   -3.917000       2.321600      -1.201100    
 H  -4.9000001E-03  -3.260300       1.720800    
 H  -0.6158000      -1.642000       1.666700    
 H  -0.8436000      -5.053000      0.2094000    
 H   -2.236200      -4.759800     -0.8391000    
 H  -0.6438000      -4.156700      -1.309200    
 H   -2.460800       1.640900       1.419000    
 H   -3.019800       3.230500      0.8913000    
 H   -5.399800       2.354400      0.7752000    
 H   -5.777600      0.9580000     -0.2386000    
 H   -4.861700      0.7447000       1.265500    
 H    1.152400      -2.960000     -0.4651000    
 H   0.4590000      -1.314800     -0.5610000    
 H  -0.2238000       2.357900       1.494000    
 H  -0.7749000       3.999000       1.062400    
 H    1.158400       2.299400     -0.5932000    
 H   0.6435000       3.934200     -0.9809000    
 H    1.633800       3.648000      0.4695000    
 H    2.420400      -1.329600      -1.687600    
 H    3.200900      0.2081000       2.275700    
 H    3.833000      0.4184000      -2.641800    
 H    4.648400       1.956500       1.286400    
 H    4.964400       2.064800      -1.171800    


%chk=000176729-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000176729

0 1
O -1.702071 2.466829 -0.366494
O 1.761372 -1.289289 1.046673
C -1.562765 -3.047441 0.271095
C -2.296470 -2.026107 -0.641974
C -2.829069 -0.764163 0.074555
C -3.447805 0.241696 -0.924255
C -3.978075 1.567124 -0.311084
C -0.362063 -2.430207 1.048829
C -1.136299 -4.293932 -0.544777
C -2.892147 2.322520 0.478774
C -5.222186 1.360032 0.586058
C 0.652318 -1.701381 0.161819
C -0.632184 3.226484 0.298091
C 2.820048 -0.567682 0.474036
C 0.563425 3.284875 -0.651836
C 2.897422 -0.205978 -0.895428
C 3.857229 -0.197470 1.368182
C 4.017917 0.525070 -1.356392
C 4.965220 0.530566 0.893081
C 5.054389 0.897870 -0.473216
H -2.287597 -3.387317 1.041699
H -1.617015 -1.712923 -1.462860
H -3.143721 -2.544826 -1.137245
H -3.571528 -1.065253 0.841727
H -1.998493 -0.266119 0.610188
H -4.280040 -0.249055 -1.471275
H -2.675859 0.499148 -1.674343
H -4.271213 2.218265 -1.160584
H 0.168403 -3.234108 1.594563
H -0.726595 -1.718345 1.812964
H -0.649687 -5.048720 0.100488
H -2.012989 -4.769638 -1.022572
H -0.424840 -4.029730 -1.350408
H -2.629563 1.772344 1.411942
H -3.271410 3.326985 0.776995
H -5.617992 2.324896 0.956279
H -6.029744 0.859853 0.020690
H -4.990243 0.732843 1.467141
H 1.047922 -2.361777 -0.636528
H 0.206052 -0.801113 -0.307079
H -0.355576 2.727608 1.254390
H -0.998735 4.249527 0.541787
H 0.946840 2.271446 -0.861669
H 0.273026 3.754924 -1.607614
H 1.383910 3.874410 -0.203660
H 2.108660 -0.485430 -1.599940
H 3.772041 -0.491345 2.419099
H 4.074411 0.802208 -2.415432
H 5.762845 0.811704 1.590096
H 5.917623 1.463220 -0.839674


