%chk=000101578.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000101578

0 1
 I    4.551200      0.7950000      0.6727000    
 O  -0.7630000      0.6435000     -0.4654000    
 O   0.2920000      -1.438500     -0.2013000    
 O   -3.534500       1.220900     -4.9300000E-02
 C   -1.738300     -0.3512000     -0.1462000    
 C   0.4323000     -0.1074000     -0.7174000    
 C  -0.9191000      -1.407300      0.5554000    
 C    1.608500      0.5828000     -5.4299999E-02
 C   -2.842300      0.2376000      0.7055000    
 C    2.913000     -0.1755000     -0.2996000    
 H   -2.136300     -0.7229000      -1.098900    
 H   0.5785000     -0.1741000      -1.801300    
 H  -0.6664000      -1.125200       1.583700    
 H   -1.393700      -2.392100      0.5583000    
 H    1.422900      0.6570000       1.025400    
 H    1.682100       1.614500     -0.4207000    
 H   -2.433300      0.7298000       1.594000    
 H   -3.554400     -0.5342000       1.013300    
 H    3.113600     -0.2371000      -1.375000    
 H    2.840500      -1.201200      7.7900000E-02
 H   -4.235500       1.578600      0.5219000    


%chk=000101578-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000101578

0 1
I 4.361542 1.519614 0.519156
O -0.946439 0.389980 -0.790111
O 0.184680 -1.268354 0.435422
O -3.119139 1.559804 0.547625
C -1.988775 -0.507011 -0.181646
C 0.364988 -0.279932 -0.629299
C -1.193684 -1.769428 0.236070
C 1.432455 0.737333 -0.223777
C -2.616039 0.261635 0.990943
C 2.794315 0.054558 -0.048283
H -2.741998 -0.706777 -0.963939
H 0.605359 -0.797495 -1.585554
H -1.517500 -2.202760 1.195320
H -1.211448 -2.541589 -0.557959
H 1.111033 1.219075 0.715586
H 1.482260 1.515762 -1.005698
H -1.864293 0.370622 1.802217
H -3.496174 -0.278091 1.382494
H 3.169441 -0.401739 -0.977520
H 2.787401 -0.683651 0.765932
H -2.380187 2.001441 0.051723


