%chk=000162639.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000162639

0 1
 O    4.084800      0.1904000      -1.685500    
 O   -6.024600      8.8100001E-02  0.3667000    
 C    2.521400      0.4037000      0.1851000    
 C    1.819500     -0.8951000     -0.2831000    
 C   0.3390000     -0.9397000      0.1029000    
 C    3.979900      8.8299997E-02 -0.2625000    
 C  -0.3956000      0.2559000     -0.5739000    
 C    1.821500       1.580900     -0.5159000    
 C    2.741300      -2.001500      0.2217000    
 C   0.3043000       1.600900     -0.2469000    
 C    4.159300      -1.399200      0.1305000    
 C  -0.3397000      -2.243400     -0.3243000    
 C    2.455400      0.6155000       1.726000    
 C   -1.894100      0.2185000     -0.2862000    
 C   -1.765100      -2.287700      0.2187000    
 C   -2.530000     -0.9986000      4.4199999E-02
 C    4.999500      0.9536000      0.3433000    
 C   -2.692200       1.367700     -0.4282000    
 C   -3.917100      -1.024900      0.2729000    
 C   -4.070500       1.325500     -0.2069000    
 C   -4.682700      0.1307000      0.1483000    
 C    5.833000       1.661300      0.8390000    
 C   -6.747200       1.309400      0.2141000    
 H    1.843400     -0.9464000      -1.382400    
 H   0.2408000     -0.8639000       1.193200    
 H  -0.3130000      0.1227000      -1.663900    
 H    1.969700       1.524000      -1.601500    
 H    2.261500       2.533000     -0.1956000    
 H    2.659000      -2.907800     -0.3872000    
 H    2.510200      -2.277400       1.256700    
 H   0.1088000       1.880700      0.7952000    
 H  -0.1171000       2.405400     -0.8608000    
 H    4.655200      -1.514000       1.102100    
 H    4.758300      -1.946200     -0.6071000    
 H   0.2065000      -3.117300      4.7699999E-02
 H  -0.3545000      -2.318700      -1.419300    
 H    2.967600     -0.1756000       2.282500    
 H    2.923000       1.566300       2.007000    
 H    1.432000      0.6552000       2.107000    
 H   -1.730800      -2.515100       1.291900    
 H   -2.301700      -3.107700     -0.2739000    
 H    3.753600     -0.6239000      -2.098100    
 H   -2.259000       2.319200     -0.7217000    
 H   -4.402000      -1.959100      0.5489000    
 H   -4.602700       2.262200     -0.3342000    
 H    6.571900       2.289200       1.279200    
 H   -6.699100       1.678900     -0.8158000    
 H   -6.422700       2.062100      0.9405000    
 H   -7.799000       1.091600      0.4271000    


%chk=000162639-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000162639

0 1
O 4.146065 0.241617 -1.756138
O -6.104470 0.071896 0.297503
C 2.538215 0.382259 0.205769
C 1.831132 -0.931952 -0.256391
C 0.342182 -0.967421 0.129950
C 4.017689 0.082065 -0.278084
C -0.369503 0.248694 -0.542788
C 1.850187 1.592531 -0.461366
C 2.782936 -2.059902 0.218326
C 0.321623 1.596177 -0.180504
C 4.215280 -1.432270 0.115551
C -0.375290 -2.269928 -0.282321
C 2.539187 0.550079 1.749519
C -1.884837 0.231961 -0.279647
C -1.806941 -2.289526 0.290472
C -2.561200 -0.978470 0.072678
C 5.037983 0.978989 0.280509
C -2.666619 1.402025 -0.437045
C -3.960915 -0.974089 0.251853
C -4.067178 1.413516 -0.256784
C -4.719131 0.207262 0.092031
C 5.891275 1.729848 0.752336
C -6.925730 1.272950 0.140390
H 1.842849 -0.930391 -1.374029
H 0.252297 -0.870366 1.233264
H -0.225621 0.107852 -1.640772
H 2.033319 1.553975 -1.552663
H 2.296615 2.538943 -0.098914
H 2.686173 -2.974722 -0.392194
H 2.553315 -2.341021 1.263187
H 0.121317 1.831271 0.883434
H -0.127834 2.418074 -0.768651
H 4.758429 -1.513638 1.072000
H 4.845102 -1.915400 -0.652533
H 0.181136 -3.154358 0.082374
H -0.404821 -2.336351 -1.389713
H 3.017304 -0.297867 2.271053
H 3.095741 1.463785 2.022615
H 1.515334 0.649985 2.147032
H -1.750649 -2.487467 1.381612
H -2.387349 -3.126652 -0.142622
H 3.585641 -0.454959 -2.186675
H -2.179137 2.343258 -0.711505
H -4.489751 -1.896165 0.518953
H -4.623134 2.346185 -0.390737
H 6.641302 2.382630 1.158215
H -6.860542 1.675907 -0.889563
H -6.632956 2.060181 0.862886
H -7.956019 0.946703 0.345627


