%chk=000051316.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000051316

0 1
 O   -1.612500       2.330300     -0.4343000    
 O   -3.239500       3.475400      0.7399000    
 C   2.8999999E-02 -0.4836000      0.1822000    
 C    1.277300      -1.118800     -8.3999999E-02
 C   5.9000000E-02  0.8972000      0.4650000    
 C    2.508700     -0.3629000     -6.0199998E-02
 C   -1.202400      -1.239200      0.1585000    
 C    2.465600       1.021400      0.2311000    
 C   -1.159300      -2.623700     -0.1329000    
 C    1.242700       1.631500      0.4894000    
 C    1.247400      -2.499500     -0.3667000    
 C   6.3699998E-02  -3.233800     -0.3911000    
 C   -1.107700       1.783100      0.7753000    
 C    3.795400     -0.9089000     -0.3120000    
 C   -2.489100     -0.6932000      0.4101000    
 C    3.641200       1.792200      0.2640000    
 C   -2.334900      -3.394500     -0.1658000    
 C    4.959200     -0.1349000     -0.2772000    
 C   -3.653000      -1.467300      0.3751000    
 C    4.881800       1.217600      1.1300000E-02
 C   -3.575600      -2.819800      8.6700000E-02
 C   -2.687900       3.166400     -0.3077000    
 C   -3.109100       3.665200      -1.656700    
 H    1.232700       2.700900      0.6995000    
 H    2.157700      -3.054000     -0.5797000    
 H   0.1194000      -4.297200     -0.6174000    
 H   -1.817800       1.410200       1.517800    
 H  -0.7343000       2.651200       1.343800    
 H    3.924300      -1.962800     -0.5442000    
 H   -2.749800      0.3387000      0.4986000    
 H    3.600200       2.856500      0.4890000    
 H   -2.292900      -4.458500     -0.3924000    
 H    5.922400     -0.5957000     -0.4764000    
 H   -4.621200      -1.003200      0.5420000    
 H    5.781500       1.824400      3.9900001E-02
 H   -4.476000      -3.425100      5.0400000E-02
 H   -3.400700       2.822100      -2.288200    
 H   -2.291300       4.226000      -2.116000    
 H   -3.969500       4.331200      -1.545100    


%chk=000051316-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000051316

0 1
O -2.257976 2.200442 0.063295
O -1.098921 4.222644 0.245409
C -0.096934 -0.514905 0.187672
C 1.202695 -1.110299 -0.004056
C -0.147136 0.898856 0.562934
C 2.409936 -0.286923 -0.047504
C -1.285747 -1.368758 0.043619
C 2.298821 1.126245 0.205685
C -1.120724 -2.805592 -0.024550
C 1.018979 1.662913 0.558535
C 1.311937 -2.544128 -0.120467
C 0.202157 -3.365264 -0.074884
C -1.371883 1.592745 1.128916
C 3.710447 -0.807435 -0.347559
C -2.622740 -0.865963 -0.101859
C 3.458241 1.963298 0.155029
C -2.261942 -3.664384 -0.098327
C 4.833889 0.027162 -0.398186
C -3.725649 -1.726198 -0.195763
C 4.712614 1.426003 -0.144526
C -3.555472 -3.139378 -0.162397
C -1.986294 3.527177 -0.298153
C -2.898459 3.961339 -1.424819
H 0.954980 2.719781 0.844219
H 2.300788 -3.000781 -0.209000
H 0.312845 -4.455102 -0.116045
H -2.044493 0.906914 1.663458
H -1.063517 2.415996 1.793079
H 3.844571 -1.871101 -0.562947
H -2.798613 0.204031 -0.216980
H 3.342714 3.034991 0.354482
H -2.099613 -4.748502 -0.128375
H 5.814719 -0.397259 -0.639562
H -4.728455 -1.301581 -0.317539
H 5.598142 2.069021 -0.186810
H -4.425125 -3.802608 -0.222803
H -3.930188 3.616952 -1.247807
H -2.552957 3.508177 -2.371668
H -2.870936 5.056372 -1.522147


