%chk=000081597.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000081597

0 1
 O   -4.799500     -0.8012000     -0.5909000    
 O    10.06690     -0.3907000      0.4624000    
 O    8.934900       1.545200      6.2399998E-02
 C    1.355700      0.1933000     -0.2954000    
 C    2.626600     -0.6335000     -9.3300000E-02
 C   0.1061000     -0.6880000     -0.2534000    
 C    3.878800      0.2432000     -0.1687000    
 C   -1.166800      0.1430000     -0.4219000    
 C    5.146400     -0.5807000      6.7000002E-02
 C   -2.412300     -0.7405000     -0.4138000    
 C    6.433400      0.2510000      2.4300000E-02
 C   -3.680700      7.4199997E-02 -0.6240000    
 C    7.720800     -0.5413000      0.2323000    
 C    8.944300      0.3353000      0.2383000    
 C   -5.985600     -0.2727000     -0.1517000    
 C   -6.263800       1.079500     -0.3523000    
 C   -6.914500      -1.087100      0.4962000    
 C   -7.470500       1.617200      9.5399998E-02
 C   -8.121200     -0.5492000      0.9437000    
 C   -8.399100      0.8030000      0.7433000    
 H    1.291000      0.9619000      0.4844000    
 H    1.404400      0.7140000      -1.259500    
 H    2.585600      -1.135000      0.8813000    
 H    2.682100      -1.417300     -0.8584000    
 H   0.1629000      -1.441300      -1.048600    
 H   6.7100003E-02  -1.227400      0.7008000    
 H    3.816900       1.039800      0.5825000    
 H    3.933100      0.7276000      -1.151000    
 H   -1.233400      0.8825000      0.3852000    
 H   -1.118200      0.6988000      -1.366400    
 H    5.079600      -1.079800       1.041600    
 H    5.209200      -1.372100     -0.6901000    
 H   -2.482500      -1.287400      0.5349000    
 H   -2.341000      -1.506000      -1.196600    
 H    6.487000      0.7714000     -0.9409000    
 H    6.367700       1.036900      0.7882000    
 H   -3.647500      0.5777000      -1.597100    
 H   -3.731500      0.8266000      0.1740000    
 H    7.831000      -1.279900     -0.5692000    
 H    7.673900      -1.065900       1.193200    
 H   -5.580600       1.741500     -0.8761000    
 H   -6.703200      -2.141000      0.6553000    
 H    10.87140      0.1706000      0.4674000    
 H   -7.690300       2.668600     -6.6100001E-02
 H   -8.844500      -1.183300       1.447900    
 H   -9.339300       1.221300       1.090500    


%chk=000081597-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000081597

0 1
O -4.833860 -0.747559 0.062829
O 10.280507 -0.562399 0.080129
O 9.241230 1.407175 -0.573964
C 1.435042 0.229633 -0.134242
C 2.731416 -0.582120 0.084869
C 0.151632 -0.605185 0.072445
C 4.016568 0.238165 -0.165118
C -1.146250 0.218649 -0.085367
C 5.311974 -0.565757 0.085712
C -2.420338 -0.645887 0.052734
C 6.591101 0.256004 -0.184402
C -3.699483 0.190533 -0.022755
C 7.871738 -0.558123 0.079080
C 9.143735 0.224391 -0.181040
C -6.133055 -0.215932 0.028801
C -6.433018 1.166376 -0.072643
C -7.179770 -1.169725 0.105666
C -7.785854 1.580777 -0.094436
C -8.520739 -0.740406 0.082078
C -8.834306 0.638409 -0.017648
H 1.425659 1.097197 0.558686
H 1.435607 0.652408 -1.160760
H 2.743749 -0.977182 1.122398
H 2.726671 -1.468173 -0.584348
H 0.141765 -1.446538 -0.651564
H 0.170500 -1.065070 1.082433
H 4.011654 1.136536 0.486980
H 4.014398 0.613348 -1.209767
H -1.157411 1.027432 0.675331
H -1.142946 0.720696 -1.075461
H 5.317664 -0.929046 1.135046
H 5.309588 -1.471391 -0.557010
H -2.406373 -1.191157 1.016041
H -2.447229 -1.409687 -0.747865
H 6.593318 0.615689 -1.231248
H 6.596352 1.163636 0.449372
H -3.752419 0.752933 -0.979153
H -3.749983 0.915476 0.816966
H 7.901720 -1.469618 -0.550329
H 7.906069 -0.920949 1.125407
H -5.637568 1.914966 -0.133714
H -6.918056 -2.229669 0.182593
H 11.097357 -0.021807 -0.100003
H -8.015002 2.649858 -0.172251
H -9.324438 -1.483013 0.141709
H -9.878118 0.968908 -0.035117


