%chk=000170578.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000170578

0 1
 O   -1.993500      0.2249000      0.7291000    
 O   0.6884000     -0.8759000      0.4112000    
 O   -4.639000      -1.715800     -0.7095000    
 O   -4.099800      -1.180000       1.421400    
 C   -2.723600     -0.2922000     -0.3809000    
 C    1.513800       1.191500      1.3100000E-02
 C   0.3752000      0.4451000      0.2997000    
 C    2.589200      0.2579000     -5.3300001E-02
 C  -0.8996000      0.9891000      0.4481000    
 C    2.028800     -0.9907000      0.1980000    
 C   -1.787400      -1.189000      -1.185600    
 C   -3.240900      0.8881000      -1.197600    
 C    1.380200       2.584100     -0.1378000    
 C   -1.007700       2.374200      0.2940000    
 C    3.972700      0.3330000     -0.2985000    
 C   0.1105000       3.159900      6.0000001E-03
 C   -3.871500      -1.092400      0.2208000    
 C    2.752500      -2.181700      0.2234000    
 C    4.726800     -0.8481000     -0.2792000    
 C    4.125000      -2.082100     -2.2600001E-02
 H   -1.338900      -1.965200     -0.5563000    
 H   -2.341800      -1.710300      -1.975500    
 H  -0.9899000     -0.6399000      -1.694600    
 H   -3.765800       1.613000     -0.5650000    
 H   -3.956300      0.5492000      -1.956300    
 H   -2.448800       1.414700      -1.739200    
 H    2.239900       3.209100     -0.3605000    
 H   -1.969900       2.864800      0.4192000    
 H    4.455600       1.284700     -0.4996000    
 H  -3.3000000E-03   4.235400     -0.1036000    
 H    2.278600      -3.135400      0.4229000    
 H    5.796400     -0.8017000     -0.4671000    
 H    4.734600      -2.982300     -1.4000000E-02
 H   -5.370600      -2.224100     -0.2990000    


%chk=000170578-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000170578

0 1
O -1.987989 0.280535 0.660954
O 0.718667 -0.928558 0.335033
O -4.723684 -1.760725 -0.611021
O -3.975925 -1.310854 1.540854
C -2.831289 -0.280234 -0.442108
C 1.615686 1.217474 0.003509
C 0.430105 0.454011 0.218598
C 2.716328 0.254250 -0.016143
C -0.851156 1.035623 0.313363
C 2.128631 -1.027460 0.190472
C -1.998011 -1.159856 -1.400250
C -3.563814 0.856191 -1.194836
C 1.526216 2.622779 -0.124308
C -0.914401 2.445606 0.196189
C 4.117914 0.342495 -0.182709
C 0.253007 3.223771 -0.023224
C -3.858038 -1.143226 0.315992
C 2.858436 -2.221195 0.241868
C 4.878949 -0.846629 -0.136713
C 4.258934 -2.109830 0.072709
H -1.450682 -1.936004 -0.841597
H -2.661441 -1.638811 -2.138669
H -1.263514 -0.534218 -1.937188
H -4.135079 1.484767 -0.490119
H -4.259591 0.430202 -1.936285
H -2.828582 1.488973 -1.721931
H 2.420845 3.232222 -0.286705
H -1.889801 2.928942 0.311224
H 4.606878 1.309296 -0.342531
H 0.157266 4.311727 -0.103302
H 2.368114 -3.184045 0.408324
H 5.965844 -0.798831 -0.262456
H 4.875786 -3.014244 0.106007
H -5.384709 -2.312245 -0.111799


