%chk=000111438.chk
%nprocshared=8
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000111438

0 1
 O    5.039800       1.400300      0.2289000    
 O    7.239100       1.068500     -0.1148000    
 C    3.391100     -0.4084000     -0.1623000    
 C    2.070500     -0.9868000      0.3330000    
 C   0.8753000     -0.2341000     -0.2512000    
 C    4.538400      -1.388000      3.0800000E-02
 C  -0.4476000     -0.7963000      0.2746000    
 C    3.743100      0.8726000      0.5778000    
 C   -1.641000     -1.6700000E-02 -0.2820000    
 C    5.808200     -0.7916000     -0.5410000    
 C   -2.989000     -0.4916000      0.2685000    
 C   -4.185200      0.2713000     -0.3074000    
 C   -5.503200     -0.2536000      0.2686000    
 C    6.096000      0.6171000     -9.1100000E-02
 C   -6.739200      0.4534000     -0.2952000    
 C   -8.050600     -1.9099999E-02  0.3329000    
 C   -9.245700      0.7032000     -0.2703000    
 H    3.317600     -0.1918000      -1.236800    
 H    1.992200      -2.038400      2.8800000E-02
 H    2.030100     -0.9745000       1.429200    
 H   0.9356000      0.8291000      6.5000001E-03
 H   0.8927000     -0.3029000      -1.345800    
 H    4.676100      -1.604500       1.097900    
 H    4.326700      -2.341200     -0.4673000    
 H  -0.4586000     -0.7449000       1.370100    
 H  -0.5385000      -1.853800     -1.1000000E-03
 H    3.735700      0.7294000       1.664700    
 H    3.019700       1.661500      0.3501000    
 H   -1.648600     -0.1022000      -1.375800    
 H   -1.519800       1.048600     -4.8900001E-02
 H    6.655900      -1.423100     -0.2527000    
 H    5.755100     -0.7770000      -1.635900    
 H   -3.104800      -1.560900      5.2000001E-02
 H   -2.985700     -0.3885000       1.360700    
 H   -4.194900      0.1685000      -1.399000    
 H   -4.084100       1.339700     -8.2699999E-02
 H   -5.489800     -0.1356000       1.359300    
 H   -5.586200      -1.329000      6.7900002E-02
 H   -6.776700      0.2946000      -1.380100    
 H   -6.635100       1.534300     -0.1378000    
 H   -8.029000      0.1571000       1.414500    
 H   -8.166400      -1.098400      0.1815000    
 H   -9.173800       1.783500     -0.1087000    
 H   -9.312200      0.5200000      -1.347500    
 H   -10.17340      0.3516000      0.1919000    


%chk=000111438-Freq.chk
%nprocshared=8
%mem=21GB
#p freq=noraman PBEPBE/SDD

000111438

0 1
O 5.175431 1.424209 -0.128588
O 7.395722 1.030743 -0.433390
C 3.487509 -0.481748 -0.215114
C 2.112155 -0.946677 0.325201
C 0.900208 -0.122902 -0.169697
C 4.632751 -1.406617 0.254814
C -0.450694 -0.733568 0.267265
C 3.809249 0.947996 0.248201
C -1.673774 0.091735 -0.191523
C 5.975120 -0.959553 -0.358281
C -3.022750 -0.529074 0.236043
C -4.248679 0.299249 -0.210123
C -5.596370 -0.327649 0.213207
C 6.256967 0.543989 -0.287180
C -6.824213 0.503685 -0.222042
C -8.171144 -0.126926 0.199732
C -9.392519 0.712803 -0.233213
H 3.454215 -0.494455 -1.325412
H 1.968424 -2.005476 0.026063
H 2.134672 -0.939956 1.435632
H 0.962167 0.916871 0.211141
H 0.930040 -0.053284 -1.277211
H 4.691198 -1.376357 1.361817
H 4.424599 -2.455987 -0.026346
H -0.468426 -0.829709 1.373197
H -0.532903 -1.765061 -0.135102
H 3.740116 1.017322 1.352490
H 3.140199 1.699625 -0.199265
H -1.652494 0.196804 -1.296483
H -1.597261 1.120184 0.219627
H 6.836479 -1.469671 0.106369
H 6.004213 -1.221955 -1.435160
H -3.102904 -1.554772 -0.181532
H -3.040163 -0.641748 1.340445
H -4.230119 0.416803 -1.313940
H -4.172249 1.323251 0.212107
H -5.611617 -0.452146 1.316454
H -5.675799 -1.349062 -0.215043
H -6.810389 0.630771 -1.324980
H -6.748236 1.524391 0.208437
H -8.182504 -0.257869 1.301238
H -8.248142 -1.144867 -0.234414
H -9.355778 1.724584 0.213267
H -9.420484 0.833458 -1.332771
H -10.342023 0.240017 0.078865


