%chk=000047519.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000047519

0 1
 O   0.1680000       1.090100      0.4082000    
 O   -1.331800     -0.5470000     -0.3699000    
 C   0.8414000      -1.173200      0.4207000    
 C    1.663500     -0.4389000     -0.6114000    
 C  -0.3395000     -0.2372000      0.6022000    
 C    1.462400       1.004400     -0.2042000    
 C   -2.464000      0.3018000     -0.2455000    
 H   0.5614000      -2.179900      9.8300003E-02
 H    1.413300      -1.242600       1.353500    
 H    2.715600     -0.7351000     -0.6274000    
 H    1.245700     -0.6080000      -1.610900    
 H  -0.7655000     -0.3295000       1.607700    
 H    2.203800       1.312600      0.5406000    
 H    1.515000       1.691400      -1.053400    
 H   -2.896300      0.2283000      0.7572000    
 H   -3.215500     -2.4200000E-02 -0.9699000    
 H   -2.201700       1.339900     -0.4699000    


%chk=000047519-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000047519

0 1
O 0.235859 1.074050 0.624550
O -1.293205 -0.536999 -0.361551
C 0.864081 -1.222472 0.452937
C 1.676411 -0.452367 -0.623552
C -0.321317 -0.280963 0.694918
C 1.454177 1.033797 -0.243125
C -2.467367 0.341428 -0.282531
H 0.529519 -2.216278 0.117812
H 1.443760 -1.327000 1.387438
H 2.744313 -0.727390 -0.624542
H 1.254727 -0.663399 -1.620312
H -0.808409 -0.351324 1.687988
H 2.283476 1.448385 0.358999
H 1.281703 1.680495 -1.121230
H -3.014548 0.191053 0.672183
H -3.114938 0.058189 -1.126780
H -2.172441 1.403693 -0.367302


