%chk=000155564.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000155564

0 1
 O  -0.8938000       2.935800       1.120800    
 O   0.4229000     -0.4269000       1.613600    
 O   -2.543900       1.352600      -1.174800    
 O   -2.132900      -1.267300      0.8890000    
 O  -3.3399999E-02 -0.9569000      -2.413100    
 O   -3.915200      -1.065600     -0.5671000    
 C  -0.1124000       1.297000     -0.6056000    
 C  -0.1567000       1.733900      0.8464000    
 C    1.109100      0.2668000     -0.7089000    
 C  -0.6345000      0.5379000       1.596400    
 C   -1.490700      0.5164000     -0.6969000    
 C   -1.849100      0.1119000      0.7577000    
 C   0.4968000       2.941900       1.471800    
 C   0.8986000     -0.8877000      0.3352000    
 C  -1.6700000E-02   2.455700      -1.605400    
 C    2.476000      0.9504000     -0.3948000    
 C    1.197600     -0.3324000      -2.139600    
 C    2.137100      -1.693800      0.6295000    
 C    3.666500     -1.8100001E-02 -0.3988000    
 C    3.383400      -1.323600      0.2927000    
 C    4.573200      -2.190400      0.5813000    
 C   -3.200900      -1.734300      0.1677000    
 C   -3.381000      -3.203400      0.4031000    
 H  -0.9150000      0.7473000       2.633300    
 H   -1.543300     -0.3463000      -1.336000    
 H   -2.722000      0.6822000       1.106400    
 H   0.7482000       2.901300       2.523900    
 H    1.158300       3.553800      0.8737000    
 H   0.1612000      -1.605600     -3.6400001E-02
 H   0.9293000       2.997300      -1.520600    
 H  -0.1178000       2.104500      -2.636800    
 H  -0.8073000       3.197000      -1.443100    
 H    2.448100       1.416200      0.5958000    
 H    2.687100       1.752400      -1.110600    
 H    1.990800      -1.077600      -2.251100    
 H    1.375300      0.4414000      -2.892000    
 H    1.981800      -2.639700       1.143800    
 H    4.511400      0.4810000      9.1899998E-02
 H    3.981400     -0.2204000      -1.429500    
 H   -3.368000      0.8373000      -1.155300    
 H   4.2100001E-02  -1.892900      -2.160800    
 H    5.093400      -2.441300     -0.3487000    
 H    4.292200      -3.129500       1.069600    
 H    5.272900      -1.667800       1.241500    
 H   -3.582100      -3.386500       1.461400    
 H   -2.485100      -3.741100      8.2300000E-02
 H   -4.232200      -3.563300     -0.1819000    


%chk=000155564-Freq.chk
%nprocshared=12
%mem=21GB
#p freq=noraman PBEPBE/SDD

000155564

0 1
O -0.974136 3.006920 1.223177
O 0.446145 -0.478169 1.625215
O -2.469441 1.278791 -1.414661
O -2.261914 -1.293792 0.917948
O 1.316224 -1.687126 -2.384109
O -4.058256 -0.920352 -0.517048
C -0.109741 1.312459 -0.597864
C -0.197670 1.751305 0.881071
C 1.113838 0.287396 -0.723065
C -0.656144 0.491498 1.611634
C -1.448637 0.483216 -0.750536
C -1.862602 0.123295 0.717876
C 0.497833 2.879350 1.549483
C 0.882557 -0.916733 0.257535
C -0.026747 2.498367 -1.574661
C 2.467606 0.952816 -0.340763
C 1.176289 -0.233765 -2.211551
C 2.119267 -1.753703 0.502027
C 3.655502 -0.025126 -0.479909
C 3.388020 -1.370487 0.180516
C 4.592334 -2.246434 0.454701
C -3.424192 -1.684938 0.254695
C -3.800900 -3.104483 0.600269
H -0.920631 0.644894 2.668755
H -1.274495 -0.451827 -1.322384
H -2.713480 0.774904 0.995408
H 0.728997 2.810276 2.620335
H 1.144753 3.544877 0.964947
H 0.085149 -1.571822 -0.145524
H 0.902664 3.078492 -1.430362
H -0.070905 2.167303 -2.625031
H -0.885838 3.164498 -1.404861
H 2.422657 1.286941 0.711338
H 2.648028 1.844055 -0.970172
H 2.000419 0.290423 -2.741318
H 0.242380 -0.005900 -2.748290
H 1.946035 -2.712682 1.006579
H 4.563311 0.425507 -0.031263
H 3.909578 -0.186312 -1.549922
H -3.308465 0.740175 -1.358696
H 2.027753 -2.022279 -1.776228
H 5.186927 -2.411586 -0.465362
H 4.304242 -3.230750 0.861515
H 5.269504 -1.759041 1.183591
H -4.122486 -3.159831 1.655568
H -2.928993 -3.770520 0.489405
H -4.621638 -3.440498 -0.049009


