%chk=000042092.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000042092

0 1
 O    2.517500      -1.805000     -6.8200000E-02
 O    3.880100      0.1821000     -0.1158000    
 O   -4.576300     -9.8399997E-02  -1.266600    
 C    1.774700     -0.6669000      4.9999999E-03
 C  -0.1869000      0.6638000      0.1655000    
 C    2.552800      0.4677000     -2.2100000E-02
 C   0.3995000     -0.6023000      9.8200001E-02
 C   0.6083000       1.823100      0.1378000    
 C    1.998800       1.729700      4.2700000E-02
 C   -1.633300      0.7853000      0.2649000    
 C   -4.019500      8.2999999E-03  4.1000001E-02
 C    3.850300      -1.259300     -0.1451000    
 C   -2.532400     -0.1674000     -7.2099999E-02
 C   -4.633700      -1.060900      0.9348000    
 H  -0.1680000      -1.525300      0.1351000    
 H   0.1527000       2.809800      0.1886000    
 H    2.615500       2.621000      2.1000000E-02
 H   -2.004500       1.737200      0.6390000    
 H   -4.269700       1.001900      0.4296000    
 H    4.316200      -1.601100      -1.076500    
 H    4.434500      -1.639700      0.7007000    
 H   -2.207400      -1.121000     -0.4795000    
 H   -4.466000      -2.064500      0.5270000    
 H   -5.719400     -0.9278000      0.9970000    
 H   -4.221800      -1.021500       1.948400    
 H   -5.538400      1.8500000E-02  -1.186100    


%chk=000042092-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000042092

0 1
O 2.680337 -1.811981 -0.248019
O 3.986454 0.159718 0.151359
O -4.621195 -0.522460 -1.361469
C 1.831689 -0.684981 -0.086557
C -0.206418 0.594367 0.116510
C 2.604844 0.475599 0.149488
C 0.441489 -0.665527 -0.105879
C 0.586844 1.752334 0.355411
C 2.006053 1.715005 0.378946
C -1.674814 0.736518 0.104617
C -4.088678 -0.013669 -0.071546
C 4.057194 -1.257640 -0.297246
C -2.598570 -0.238838 -0.121941
C -4.749075 -0.753938 1.114335
H -0.127984 -1.580241 -0.286834
H 0.082418 2.710826 0.522759
H 2.602006 2.611409 0.566712
H -2.044382 1.755008 0.299743
H -4.298407 1.074872 0.014831
H 4.421510 -1.285104 -1.341617
H 4.697027 -1.821492 0.398690
H -2.303547 -1.272531 -0.350164
H -4.565007 -1.840813 1.039364
H -5.844382 -0.586172 1.126379
H -4.341375 -0.396072 2.076428
H -5.610432 -0.566897 -1.299999


