%chk=000126984.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000126984

0 1
 O   -2.400700     -0.2685000       3.167400    
 O   -2.426900     -0.9533000      -2.167900    
 O   -3.946600      -1.233800       1.798600    
 O    1.185300      -3.187500       1.864300    
 O  -0.1648000      -4.558800      0.6794000    
 O    3.731200     -0.4267000     -0.4490000    
 O    3.175700      -1.844100      -2.168700    
 N   -2.972500      0.2922000     -0.2957000    
 N    1.959200      -1.786200     -0.1936000    
 C   -4.013000       2.392800     -0.1558000    
 C   -4.009700       1.087000     -0.9586000    
 C   -3.743300       1.913100       1.273200    
 C   -2.765500      0.7480000       1.083000    
 C   -5.269300       3.242200     -0.3215000    
 C   -5.350900      0.3432000     -0.9540000    
 C   -6.565300       2.438500     -0.2904000    
 C   -6.518000       1.269700      -1.267800    
 C   -2.195200     -0.6124000      -1.005700    
 C   -3.120800     -0.3614000       2.022800    
 C   -1.017400      -1.202000     -0.2712000    
 C  -0.2617000      -2.171300      -1.170000    
 C   0.9814000      -2.793400     -0.5192000    
 C   0.5897000      -3.592500      0.7165000    
 C    2.974100      -1.395900      -1.044800    
 C    4.826600      7.4199997E-02  -1.223500    
 C    5.548800       1.122800     -0.4295000    
 C    5.164500       2.460100     -0.5284000    
 C    6.604100      0.7605000      0.4076000    
 C    5.835500       3.435100      0.2097000    
 C    7.275000       1.735600       1.145800    
 C    6.890600       3.072800       1.046900    
 H   -3.147300       2.997600     -0.4627000    
 H   -3.717100       1.284300      -1.997300    
 H   -3.306700       2.704300       1.892100    
 H   -4.667800       1.591400       1.767500    
 H   -1.720200       1.050400       1.198100    
 H   -5.210700       3.756800      -1.289500    
 H   -5.300500       4.025000      0.4453000    
 H   -5.531100     -0.1258000      2.0600000E-02
 H   -5.320700     -0.4770000      -1.681200    
 H   -6.750600       2.065400      0.7237000    
 H   -7.406400       3.094100     -0.5434000    
 H   -6.426700       1.646200      -2.293900    
 H   -7.457500      0.7080000      -1.214400    
 H   -1.377400      -1.728100      0.6163000    
 H  -0.3592000     -0.3856000      4.3200001E-02
 H   4.6000000E-02  -1.654600      -2.089100    
 H  -0.9388000      -2.978200      -1.481200    
 H   -2.619800     -0.9879000       3.797300    
 H    1.446900      -3.498100      -1.218700    
 H    1.898200      -1.325900      0.7100000    
 H   0.9236000      -3.743400       2.629100    
 H    5.509100     -0.7475000      -1.474100    
 H    4.451700      0.5014000      -2.162000    
 H    4.342400       2.754500      -1.175400    
 H    6.911300     -0.2783000      0.4948000    
 H    5.536000       4.476300      0.1332000    
 H    8.096300       1.453500       1.798200    
 H    7.412900       3.831800       1.621900    


%chk=000126984-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000126984

0 1
O -1.197173 -0.220046 3.228537
O -2.234359 -0.832581 -2.247785
O -2.985423 -1.179158 2.093963
O 0.565672 -4.465523 1.188638
O -0.315173 -5.438375 -0.729788
O 3.810518 -1.380918 0.385903
O 3.191321 -1.712363 -1.875029
N -2.188604 0.384014 -0.279427
N 2.051737 -2.735481 -0.099268
C -2.790406 2.651684 0.032105
C -3.165689 1.388753 -0.791955
C -2.427932 2.064949 1.422031
C -1.709981 0.712841 1.078784
C -3.877566 3.753474 0.037588
C -4.628302 0.912790 -0.589817
C -5.309389 3.207542 0.257614
C -5.627723 2.080306 -0.752071
C -1.781681 -0.682891 -1.068674
C -2.061714 -0.340922 2.130077
C -0.778569 -1.665359 -0.451695
C -0.006255 -2.434529 -1.539662
C 1.064413 -3.409988 -0.953064
C 0.376897 -4.545794 -0.204738
C 3.020207 -1.929708 -0.644481
C 4.825571 -0.368904 -0.064546
C 4.231987 1.023526 -0.120663
C 3.636653 1.502446 -1.317010
C 4.259335 1.863889 1.021638
C 3.075767 2.798203 -1.365987
C 3.698441 3.159747 0.974157
C 3.105927 3.629961 -0.221596
H -1.861271 3.072138 -0.403810
H -2.980382 1.530065 -1.871624
H -1.767919 2.720560 2.012126
H -3.342110 1.876810 2.013138
H -0.613185 0.855202 1.098643
H -3.850656 4.273435 -0.941494
H -3.629802 4.515468 0.803124
H -4.735822 0.472680 0.420849
H -4.833933 0.102963 -1.312293
H -5.418691 2.811934 1.288099
H -6.036309 4.036349 0.158677
H -5.573829 2.484308 -1.784455
H -6.660747 1.711310 -0.607329
H -1.351307 -2.365387 0.190360
H -0.065331 -1.138553 0.210727
H 0.525470 -1.728088 -2.200066
H -0.706568 -3.005433 -2.172380
H -1.462696 -0.872344 3.932221
H 1.586055 -3.864144 -1.817156
H 2.012624 -2.867240 0.912740
H 0.080486 -5.211874 1.632752
H 5.610999 -0.451995 0.703014
H 5.209545 -0.688132 -1.048504
H 3.605568 0.848049 -2.195195
H 4.719448 1.500279 1.948796
H 2.621406 3.159984 -2.295148
H 3.728664 3.802486 1.861226
H 2.677787 4.638182 -0.262516


