%chk=000138706.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000138706

0 1
 O    3.646000     -0.8224000     -0.5401000    
 O   -2.639800     -1.1400000E-02   1.431700    
 C  -6.8000001E-03  7.2700001E-02  4.6300001E-02
 C    1.256100     -0.6661000     -0.4102000    
 C   -1.270300     -0.6284000     -0.4747000    
 C    2.592000     -1.1300000E-02 -3.1999999E-03
 C   -2.594800      2.7999999E-03  3.5000001E-03
 C    2.778600      4.5100000E-02   1.514300    
 C    2.763100       1.381800     -0.6103000    
 C   -3.779800     -0.8201000     -0.5125000    
 C   -2.744400       1.457300     -0.4447000    
 H  -2.6500000E-02  0.1126000       1.139600    
 H   1.5400000E-02   1.101200     -0.3251000    
 H    1.234500      -1.694900     -2.5699999E-02
 H    1.237500     -0.7731000      -1.503600    
 H   -1.247000     -0.6491000      -1.571700    
 H   -1.237500      -1.671600     -0.1329000    
 H    3.783000      0.4005000       1.772700    
 H    2.052000      0.7075000       1.994400    
 H    2.683100     -0.9543000       1.953300    
 H    3.773100       1.767700     -0.4279000    
 H    2.638300       1.349800      -1.698700    
 H    2.050300       2.102800     -0.1991000    
 H   -3.722100      -1.853300     -0.1513000    
 H   -4.728000     -0.4167000     -0.1389000    
 H   -3.815000     -0.8356000      -1.606600    
 H   -2.673400       1.550800      -1.533300    
 H   -1.988800       2.105300      1.1400000E-02
 H   -3.713100       1.861800     -0.1281000    
 H    4.496000     -0.4288000     -0.2789000    
 H   -2.019700      0.6561000       1.769300    


%chk=000138706-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000138706

0 1
O 3.623838 -0.918994 -0.589160
O -2.720941 -0.013723 1.476405
C -0.000881 0.125912 0.017478
C 1.276121 -0.617285 -0.435357
C -1.276248 -0.598724 -0.473388
C 2.619144 0.012078 0.006139
C -2.628052 0.019414 -0.012327
C 2.789683 0.017213 1.541967
C 2.833148 1.423029 -0.586475
C -3.801492 -0.863817 -0.469954
C -2.808185 1.475489 -0.500809
H -0.015275 0.186632 1.125784
H 0.014313 1.164003 -0.367198
H 1.253913 -1.657876 -0.055761
H 1.290740 -0.688758 -1.541100
H -1.265700 -0.636882 -1.581909
H -1.247593 -1.647157 -0.115263
H 3.797583 0.380889 1.822095
H 2.053159 0.678037 2.033897
H 2.667386 -1.004935 1.941474
H 3.840897 1.804914 -0.331164
H 2.745446 1.390775 -1.686891
H 2.097194 2.148400 -0.195055
H -3.694475 -1.881333 -0.055706
H -4.756868 -0.445475 -0.108552
H -3.836128 -0.930037 -1.572212
H -2.781849 1.533381 -1.604810
H -2.014534 2.139806 -0.109749
H -3.780290 1.867514 -0.153749
H 4.530577 -0.596833 -0.346726
H -2.012631 0.573042 1.847076


