%chk=000133649.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000133649

0 1
 O    2.843500      -1.937700       1.788200    
 O   -5.400600      0.1135000      0.7780000    
 O    1.834100     -1.3900000E-02   2.478300    
 O   -6.340500      -2.063800     -0.4848000    
 O    6.075400     -0.1869000      -1.506700    
 C   -2.235100      1.0100000E-02 -2.0500001E-02
 C   -1.337200       1.213000     -0.3837000    
 C   7.6899998E-02   1.091700      0.1906000    
 C   0.7386000     -0.2019000     -0.3790000    
 C   -3.553000      0.4745000     -0.6795000    
 C   -1.612200      -1.246700     -0.6432000    
 C    2.215300     -0.4009000      0.1097000    
 C   -2.190300       2.418400     -3.8999999E-03
 C  -0.1587000      -1.454100     -0.1802000    
 C   -3.621000       1.984900     -0.3710000    
 C   0.9382000       2.314400     -0.1474000    
 C   -2.419400     -0.1998000       1.505200    
 C    3.012800      0.8898000     -4.2900000E-02
 C    2.344400       2.163500      0.4221000    
 C    2.864200      -1.570700     -0.6735000    
 C   -4.771300     -0.2589000     -0.2112000    
 C    2.260300     -0.7311000       1.585200    
 C    4.383800      -1.607500     -0.5853000    
 C    4.248700      0.9493000     -0.5655000    
 C    4.978600     -0.2764000     -0.9585000    
 C   -5.175400      -1.472900      -1.020400    
 H   -1.230900       1.249100      -1.481100    
 H   5.7999999E-03   1.032500       1.280600    
 H   0.7938000     -5.3199999E-02  -1.470100    
 H   -3.492600      0.3649000      -1.771200    
 H   -1.623300      -1.170800      -1.738100    
 H   -2.194000      -2.138600     -0.3864000    
 H   -1.896600       3.320400     -0.5504000    
 H   -2.118100       2.640700       1.066400    
 H  -0.1519000      -1.758700      0.8720000    
 H   0.2480000      -2.299700     -0.7457000    
 H   -4.307000       2.246700      0.4410000    
 H   -3.965300       2.527600      -1.259600    
 H   0.4864000       3.223100      0.2669000    
 H   0.9903000       2.452200      -1.235200    
 H   -3.032400      -1.086500       1.703600    
 H   -1.472200     -0.3572000       2.027800    
 H   -2.909900      0.6503000       1.989600    
 H    2.309000       2.191500       1.516500    
 H    2.929300       3.042900      0.1234000    
 H    2.612300      -1.449400      -1.737900    
 H    2.458400      -2.552200     -0.3988000    
 H    4.756200      -2.356300      -1.294400    
 H    4.758600      -1.880300      0.4046000    
 H    4.777500       1.889400     -0.6825000    
 H   -4.377500      -2.216200     -0.9945000    
 H   -5.370900      -1.179400      -2.055500    
 H    2.883400      -2.169800       2.740300    
 H   -7.067400      -1.426800     -0.5916000    


%chk=000133649-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000133649

0 1
O 2.601033 -2.085284 1.867728
O -5.521419 0.003718 0.716256
O 1.894052 0.004071 2.536319
O -6.346616 -2.198844 -0.562925
O 6.265675 -0.223250 -1.401152
C -2.245867 0.013142 -0.026852
C -1.337656 1.238800 -0.375407
C 0.089203 1.120649 0.198367
C 0.740533 -0.177047 -0.374360
C -3.591210 0.501664 -0.716556
C -1.602918 -1.248827 -0.647479
C 2.245603 -0.411529 0.097537
C -2.202724 2.465413 -0.001861
C -0.144999 -1.435303 -0.146672
C -3.660268 2.028647 -0.372789
C 0.954770 2.349050 -0.156594
C -2.462064 -0.170453 1.499013
C 3.049658 0.903688 -0.057569
C 2.392093 2.189836 0.394198
C 2.880821 -1.539191 -0.769660
C -4.820404 -0.278558 -0.300084
C 2.224149 -0.762264 1.600898
C 4.413788 -1.638037 -0.644080
C 4.318748 0.908121 -0.577328
C 5.090909 -0.302447 -0.928066
C -5.238243 -1.482183 -1.150450
H -1.236816 1.237961 -1.486831
H 0.039931 1.051962 1.302651
H 0.820757 -0.019248 -1.474304
H -3.450235 0.362411 -1.808961
H -1.599027 -1.152745 -1.753995
H -2.182784 -2.160405 -0.401256
H -1.896179 3.376409 -0.544805
H -2.120135 2.685714 1.079075
H -0.160858 -1.692514 0.930241
H 0.294805 -2.305260 -0.666944
H -4.359462 2.188226 0.465773
H -4.048512 2.597020 -1.236410
H 0.504668 3.265390 0.268410
H 0.983921 2.479438 -1.258587
H -3.035346 -1.093580 1.701377
H -1.505663 -0.248027 2.042176
H -3.032839 0.664132 1.939329
H 2.330696 2.174678 1.501623
H 3.022513 3.050881 0.107593
H 2.621101 -1.322513 -1.824917
H 2.435758 -2.512429 -0.509701
H 4.823348 -2.397052 -1.333450
H 4.687625 -1.957355 0.380962
H 4.845732 1.860284 -0.721925
H -4.373514 -2.165517 -1.277009
H -5.510617 -1.105871 -2.161814
H 2.553883 -2.237269 2.852042
H -6.640299 -1.662204 0.229028


