%chk=000048035.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000048035

0 1
 O    3.066000       1.312100       1.499800    
 O    3.976100     -4.8999999E-02  -1.721700    
 C    1.338500      0.3909000      9.9900000E-02
 C    1.112100      -1.009700      0.1665000    
 C    2.772000      0.9160000      0.1582000    
 C   -1.075700      0.7763000     -1.9300001E-02
 C   0.2410000       1.296200      3.2800000E-02
 C   -1.300900     -0.6255000      9.8000001E-03
 C  -0.2133000      -1.531400      0.1045000    
 C    3.844000     -8.2800001E-02 -0.3026000    
 C   -2.187800       1.660700     -9.9399999E-02
 C   -2.636600      -1.114300     -5.1800001E-02
 C    2.279800      -1.902700      0.3279000    
 C    3.528000      -1.487300      8.7099999E-02
 C   0.3884000       2.704100      2.4100000E-02
 C  -0.5235000      -2.915000      0.1190000    
 C   -3.486500       1.150000     -0.1584000    
 C   -3.708100     -0.2218000     -0.1362000    
 C   -1.988200       3.043600     -0.1170000    
 C   -2.885800      -2.488500     -2.7400000E-02
 C  -0.7054000       3.563600     -5.1600002E-02
 C   -1.833600      -3.385500      5.5599999E-02
 H    2.862400       1.798600     -0.4851000    
 H    4.817300      0.1910000      0.1199000    
 H    2.134100      -2.930700      0.6348000    
 H    4.351500      -2.189000      0.1832000    
 H    1.368600       3.170100      8.4600002E-02
 H   0.2558000      -3.670500      0.1703000    
 H   -4.345200       1.815500     -0.2214000    
 H   -4.733200     -0.5843000     -0.1837000    
 H   -2.830000       3.730000     -0.1766000    
 H   -3.901700      -2.874400     -7.5000003E-02
 H  -0.5521000       4.638700     -5.7500001E-02
 H   -2.028100      -4.453800      6.9100000E-02
 H    3.934700       1.749000       1.493600    
 H    3.098200     -0.1975000      -2.113100    


%chk=000048035-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000048035

0 1
O 2.972668 1.400511 1.533024
O 4.126963 0.025857 -1.747057
C 1.346882 0.375910 0.096492
C 1.126675 -1.008232 0.145919
C 2.765280 0.923528 0.141855
C -1.114527 0.789661 -0.017216
C 0.232609 1.306587 0.031768
C -1.344999 -0.628731 0.014363
C -0.233939 -1.546134 0.099676
C 3.871037 -0.077908 -0.280050
C -2.232970 1.700856 -0.089097
C -2.698058 -1.133720 -0.037295
C 2.282747 -1.917552 0.257980
C 3.572436 -1.503466 0.097436
C 0.420567 2.718004 0.031512
C -0.512251 -2.941603 0.121300
C -3.575663 1.164517 -0.142265
C -3.798934 -0.198106 -0.118315
C -1.993870 3.100297 -0.102932
C -2.922844 -2.534918 -0.007445
C -0.677237 3.599039 -0.036354
C -1.836016 -3.426417 0.069717
H 2.864548 1.773687 -0.566002
H 4.827291 0.259912 0.159263
H 2.095849 -2.972975 0.475405
H 4.409007 -2.205619 0.174566
H 1.429032 3.129973 0.115118
H 0.302068 -3.668924 0.172321
H -4.414855 1.867487 -0.200259
H -4.818723 -0.598227 -0.158283
H -2.844952 3.788964 -0.158226
H -3.950266 -2.914699 -0.046292
H -0.503928 4.680486 -0.031845
H -2.015527 -4.506709 0.088997
H 3.840915 1.881333 1.571427
H 3.435786 -0.509970 -2.216305


