%chk=000056131.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000056131

0 1
 I   0.6336000       3.227400      2.6699999E-02
 I    3.916200      -2.932400      0.2022000    
 I    5.622000      0.1905000      -1.051800    
 O  -0.2945000      0.2463000      0.9803000    
 O   -5.940600     -0.9730000     -0.9819000    
 O   -5.330700      0.7894000      0.3141000    
 C   -2.612100      2.5599999E-02  0.3505000    
 C   -1.217600     -0.5848000      0.2913000    
 C   -3.646800     -0.8202000     -0.3939000    
 C    1.002200      0.2330000      0.5354000    
 C    1.625500       1.388100      7.4699998E-02
 C    1.685800     -0.9785000      0.5567000    
 C   -5.033900     -0.2276000     -0.2973000    
 C    3.006900      -1.035200      0.1128000    
 C    2.946600       1.331500     -0.3694000    
 C    3.637300      0.1198000     -0.3505000    
 H   -2.584200       1.040300     -6.6900000E-02
 H   -2.907000      0.1516000       1.400200    
 H  -0.9222000     -0.7073000     -0.7591000    
 H   -1.225400      -1.572800      0.7659000    
 H   -3.677700      -1.828600      3.3100002E-02
 H   -3.375800     -0.8875000      -1.453200    
 H    1.187000      -1.869400      0.9308000    
 H    3.433100       2.235700     -0.7296000    
 H   -6.843900     -0.5949000     -0.9224000    


%chk=000056131-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000056131

0 1
I 1.084898 3.520107 0.353058
I 3.674300 -3.071553 -0.269172
I 5.979468 -0.088287 0.008214
O -0.350659 0.691930 0.078850
O -6.112353 -1.429372 -0.260571
O -5.510913 0.798675 0.007915
C -2.694716 0.151238 -0.008691
C -1.286267 -0.444354 -0.044469
C -3.760451 -0.952638 -0.144087
C 1.014948 0.433421 0.058214
C 1.890162 1.549238 0.165028
C 1.573059 -0.863704 -0.061773
C -5.172509 -0.396728 -0.118737
C 2.974983 -1.050382 -0.078511
C 3.283391 1.362179 0.148108
C 3.841022 0.062079 0.025523
H -2.802475 0.887717 -0.824150
H -2.836964 0.705016 0.935627
H -1.095714 -0.975609 -1.000603
H -1.122780 -1.149247 0.797641
H -3.680366 -1.699007 0.670919
H -3.640776 -1.522603 -1.086343
H 0.919653 -1.734890 -0.142610
H 3.945257 2.227811 0.229452
H -7.030399 -1.044037 -0.240133


