%chk=000170879.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000170879

0 1
 O  -0.5544000      0.8498000      8.7000001E-03
 O  -0.4017000      -1.461000      0.2751000    
 C    5.764100     -0.2612000     -0.1154000    
 C    7.292800     -0.1630000     -0.1134000    
 C    5.075700       1.101200     -0.2551000    
 C    7.935700      -1.540200      5.3800002E-02
 C    3.570800       1.033500     -0.1846000    
 C    9.452700      -1.445400      9.5399998E-02
 C    2.941500       1.150900       1.045300    
 C    2.841900      0.8560000      -1.350500    
 C   -6.795100     -0.3825000      0.4200000    
 C   -5.305000     -0.3968000      0.3603000    
 C   -7.422600      0.1939000     -0.8569000    
 C   0.8037000      0.9110000     -5.4299999E-02
 C    1.549500       1.089200       1.110800    
 C    1.449900      0.7944000      -1.285000    
 C   -4.638600      -1.509600     -0.1533000    
 C   -4.577600      0.7023000      0.8167000    
 C   -2.548000     -0.4236000      0.2474000    
 C   -3.244900      -1.523100     -0.2103000    
 C   -3.183900      0.6888000      0.7596000    
 C   -8.941900      0.1737000     -0.8030000    
 C   -1.064400     -0.4383000      0.1885000    
 H    5.433800     -0.7404000      0.8153000    
 H    5.441700     -0.9179000     -0.9336000    
 H    7.632400      0.2933000      -1.050900    
 H    7.614600      0.4952000      0.7028000    
 H    5.374400       1.567700      -1.203100    
 H    5.440400       1.779100      0.5281000    
 H    7.637200      -2.193300     -0.7745000    
 H    7.581000      -2.007600      0.9799000    
 H    9.784200     -0.8259000      0.9348000    
 H    9.891600      -2.441000      0.2138000    
 H    9.843700      -1.009300     -0.8294000    
 H    3.513600       1.288000       1.958400    
 H    3.336200      0.7622000      -2.313200    
 H   -7.126200      0.1984000       1.290700    
 H   -7.167200      -1.401500      0.5890000    
 H   -7.089400     -0.3799000      -1.730400    
 H   -7.082300       1.225600      -1.008200    
 H    1.052300       1.180700       2.072700    
 H   0.8749000      0.6552000      -2.196500    
 H   -5.194000      -2.371000     -0.5146000    
 H   -5.085200       1.574700       1.219900    
 H   -2.737500      -2.393500     -0.6154000    
 H   -2.639600       1.550900       1.133000    
 H   -9.316300     -0.8490000     -0.6921000    
 H   -9.311600      0.7685000      3.8300000E-02
 H   -9.360000      0.5909000      -1.724400    


%chk=000170879-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000170879

0 1
O -0.518100 0.404254 0.509056
O -1.028399 -1.133275 2.221044
C 5.920141 -0.252187 -0.242009
C 7.460595 -0.139785 -0.259566
C 5.247079 0.828717 0.650564
C 8.137944 -1.216887 -1.137769
C 3.730641 0.716686 0.666599
C 9.677462 -1.098811 -1.154508
C 3.065234 -0.098171 1.615832
C 2.937877 1.391691 -0.298996
C -7.015925 0.393556 -0.179952
C -5.557918 0.232366 0.214619
C -7.433673 -0.581843 -1.319077
C 0.903782 0.431998 0.644177
C 1.660541 -0.254858 1.622900
C 1.536403 1.254752 -0.315164
C -5.176939 -0.653736 1.257691
C -4.534409 0.931391 -0.480117
C -2.809363 -0.134471 0.893216
C -3.823339 -0.837973 1.595451
C -3.176574 0.754894 -0.150857
C -8.914665 -0.415190 -1.718702
C -1.396232 -0.364290 1.300955
H 5.622692 -1.257134 0.119969
H 5.527100 -0.165755 -1.275340
H 7.752978 0.867321 -0.624952
H 7.847705 -0.217465 0.778327
H 5.550545 1.828775 0.282113
H 5.645972 0.732947 1.679752
H 7.747901 -1.140090 -2.173249
H 7.846300 -2.221870 -0.770285
H 10.094159 -1.203341 -0.134843
H 10.137007 -1.879138 -1.788695
H 9.995286 -0.114108 -1.546537
H 3.654581 -0.624839 2.376628
H 3.423372 2.035647 -1.042297
H -7.207692 1.430814 -0.518312
H -7.670147 0.213369 0.695430
H -7.244584 -1.622661 -0.990908
H -6.782927 -0.409549 -2.198735
H 1.167451 -0.886446 2.361729
H 0.920239 1.776976 -1.053517
H -5.952685 -1.197361 1.810343
H -4.809829 1.625369 -1.283709
H -3.526275 -1.516758 2.401795
H -2.395200 1.299677 -0.687080
H -9.583592 -0.609895 -0.859259
H -9.117803 0.612091 -2.075916
H -9.191817 -1.115303 -2.527637


