%chk=000042091.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000042091

0 1
 O    2.433800     -0.8267000      0.1903000    
 O   -5.068500      0.6336000      0.1934000    
 O   -3.240100      0.4103000       1.523000    
 C    2.953600      0.4181000     -0.3476000    
 C    1.811400       1.443700     -0.4146000    
 C   0.6605000      0.5136000     -0.4230000    
 C    4.108100      0.8869000      0.5227000    
 C    1.084900     -0.7511000     -4.5299999E-02
 C  -0.6742000      0.7662000     -0.6818000    
 C   -1.580900     -0.2903000     -0.5615000    
 C   0.2052000      -1.807000      9.2900001E-02
 C    5.238600     -0.1274000      0.5479000    
 C   -1.144000      -1.568400     -0.1749000    
 C   -3.029000     -5.7799999E-02 -0.8370000    
 C   -3.759300      0.3561000      0.4153000    
 H    3.316100      0.2013000      -1.362700    
 H    1.877500       2.061500      -1.314300    
 H    1.771900       2.082700      0.4739000    
 H    3.764800       1.040900       1.552800    
 H    4.489200       1.845700      0.1531000    
 H   -1.002600       1.761900     -0.9622000    
 H   0.5453000      -2.790800      0.3957000    
 H    4.917100      -1.078100      0.9846000    
 H    5.615400     -0.3218000     -0.4613000    
 H    6.070200      0.2514000       1.150900    
 H   -1.854900      -2.385200     -7.5599998E-02
 H   -3.494000     -0.9693000      -1.229800    
 H   -3.149200      0.7291000      -1.590600    
 H   -5.533900      0.8871000       1.018900    


%chk=000042091-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000042091

0 1
O 2.447657 -0.884125 0.014489
O -4.533838 0.018994 1.086547
O -3.638455 2.005112 0.282660
C 3.021237 0.476588 -0.354104
C 1.801118 1.446767 -0.423999
C 0.608928 0.501752 -0.476242
C 4.097907 0.841565 0.671422
C 1.060913 -0.808565 -0.185284
C -0.754363 0.736762 -0.704112
C -1.670553 -0.351690 -0.640127
C 0.182766 -1.901589 -0.102137
C 5.281814 -0.147140 0.687226
C -1.192657 -1.650319 -0.333137
C -3.161800 -0.120684 -0.899068
C -3.776149 0.766565 0.172995
H 3.471196 0.336145 -1.357411
H 1.865510 2.111555 -1.302908
H 1.758426 2.088628 0.478198
H 3.625055 0.889603 1.671501
H 4.458119 1.863835 0.435479
H -1.124847 1.746790 -0.914148
H 0.550764 -2.904988 0.128743
H 4.927976 -1.167453 0.913563
H 5.792059 -0.174142 -0.294129
H 6.028154 0.139791 1.449473
H -1.902907 -2.483390 -0.275078
H -3.701178 -1.079860 -0.926496
H -3.305983 0.394597 -1.866353
H -4.883868 0.625094 1.795637


