%chk=000086126.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000086126

0 1
 O    1.274500      -1.083100      0.3802000    
 O   -2.783000      0.1946000     -0.9346000    
 O    1.353700      -3.171100       1.358400    
 O   -4.182400      -1.135400      0.3287000    
 C    3.160400      0.4176000      2.4200000E-02
 C   -2.357100       2.512800     -0.2943000    
 C   -1.144600       2.208900      0.6091000    
 C    2.723100      0.6526000      -1.439100    
 C    4.676900      0.5607000      0.2589000    
 C    2.686400     -0.9405000      0.5665000    
 C   -3.373100       1.364700     -0.3591000    
 C   -1.525800       1.916900       2.062100    
 C   -1.861900       2.863300      -1.702400    
 C    3.340600     -0.2940000      -2.459100    
 C    5.226600       1.936400     -8.9699998E-02
 C   -1.059000      -2.084600     -0.9307000    
 C  -0.7492000      -2.250000      0.5556000    
 C   -2.563000      -2.123100      -1.193500    
 C  -0.2922000       1.707000       2.927400    
 C   0.7380000      -2.257600      0.8267000    
 C   -3.289000     -0.9960000     -0.4952000    
 H    2.650400       1.191000      0.6162000    
 H   -2.873100       3.393900      0.1088000    
 H  -0.5827000       1.357300      0.2047000    
 H  -0.4631000       3.069200      0.5878000    
 H    1.630900      0.5776000      -1.510500    
 H    2.962800       1.682500      -1.728700    
 H    4.888100      0.3757000       1.320000    
 H    5.228600     -0.2037000     -0.3002000    
 H    2.907000      -1.003600       1.639400    
 H    3.204200      -1.761900      5.7300001E-02
 H   -4.212400       1.656900      -1.001500    
 H   -3.782100       1.172100      0.6383000    
 H   -2.142300       1.014200       2.123400    
 H   -2.115000       2.747100       2.467700    
 H   -1.297100       2.038500      -2.150200    
 H   -1.206800       3.740700      -1.673700    
 H   -2.702700       3.098900      -2.363200    
 H    2.962900     -5.8600001E-02  -3.459700    
 H    4.429700     -0.2004000      -2.488500    
 H    3.085000      -1.335900      -2.246800    
 H    4.676500       2.724000      0.4345000    
 H    6.278900       2.005300      0.2043000    
 H    5.171500       2.129900      -1.164800    
 H  -0.5757000      -2.891000      -1.495800    
 H  -0.6333000      -1.147200      -1.307900    
 H   -1.191500      -1.450300       1.160000    
 H   -1.160200      -3.198300      0.9210000    
 H   -2.985000      -3.072300     -0.8436000    
 H   -2.771100      -2.053600      -2.266900    
 H   0.3432000       2.598300       2.928400    
 H  -0.5852000       1.497500       3.960900    
 H   0.3018000      0.8620000       2.564700    


%chk=000086126-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000086126

0 1
O 1.645100 -1.352568 0.936505
O -3.449985 0.095749 -0.875825
O 1.514922 -2.689080 -0.979609
O -3.619926 -0.871466 1.248542
C 3.489047 0.262227 0.490344
C -2.693124 2.454016 -0.610136
C -1.377801 2.106597 0.137251
C 2.875232 0.770799 -0.844483
C 5.035889 0.408391 0.568610
C 3.126252 -1.207323 0.784899
C -3.825601 1.442863 -0.341398
C -1.479573 2.081341 1.680806
C -2.447956 2.628147 -2.127938
C 3.408170 0.091724 -2.127354
C 5.536694 1.858645 0.394408
C -1.381853 -2.190575 -0.990527
C -0.528387 -2.144123 0.297472
C -2.906325 -2.230260 -0.692613
C -0.106763 1.854483 2.353172
C 0.958732 -2.114761 -0.013740
C -3.370815 -0.972279 0.023800
H 3.052928 0.876618 1.307223
H -3.068823 3.419916 -0.204086
H -1.001252 1.128008 -0.226853
H -0.611998 2.854462 -0.155209
H 1.775787 0.642502 -0.792421
H 3.045155 1.862949 -0.911219
H 5.377374 0.026636 1.552833
H 5.511272 -0.239532 -0.195048
H 3.542976 -1.526893 1.755887
H 3.467058 -1.889879 -0.013841
H -4.739303 1.723788 -0.894172
H -4.054601 1.339061 0.732998
H -2.177655 1.284678 2.003087
H -1.909717 3.042077 2.032673
H -2.112023 1.677307 -2.579101
H -1.671656 3.392306 -2.315100
H -3.369561 2.943104 -2.652638
H 2.923726 0.528002 -3.020199
H 4.498992 0.231303 -2.242755
H 3.192772 -0.991676 -2.133283
H 5.065548 2.533923 1.133571
H 6.631638 1.916237 0.534262
H 5.307814 2.249198 -0.613334
H -1.103361 -3.083745 -1.577416
H -1.160835 -1.310651 -1.622528
H -0.781916 -1.278657 0.932358
H -0.730185 -3.047022 0.908857
H -3.149827 -3.094150 -0.050235
H -3.455269 -2.326069 -1.645666
H 0.603159 2.661638 2.087108
H -0.198310 1.833546 3.454687
H 0.340261 0.894369 2.032876


