%chk=000001542.chk
%nprocshared=12
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000001542

0 1
 I    4.308500       1.018300     -0.9095000    
 O    1.463900      -1.428800      -1.350600    
 O    2.043900      -1.746800      0.8196000    
 C    1.439600      0.4978000      7.0900001E-02
 C   0.2878000      0.6647000       1.082400    
 C   -1.077200      0.3835000      0.5035000    
 C    2.713400       1.232300      0.5292000    
 C    1.696200     -0.9970000     -8.3300002E-02
 C   -1.798400       1.418800     -7.0799999E-02
 C   -1.585800     -0.9049000      0.5555000    
 C   -3.060000       1.159100     -0.6062000    
 C   -2.847400      -1.164500      2.0099999E-02
 C   -3.584400     -0.1324000     -0.5609000    
 H    1.133700      0.9037000     -0.9027000    
 H   0.4451000      3.4699999E-02   1.968400    
 H   0.2872000       1.694600       1.465200    
 H    2.503100       2.299200      0.6642000    
 H    3.057300      0.8384000       1.492700    
 H   -1.397600       2.427500     -0.1136000    
 H   -1.023400      -1.715900       1.008800    
 H   -3.633600       1.962500      -1.059200    
 H   -3.256300      -2.170100      5.6000002E-02
 H   -4.566600     -0.3346000     -0.9778000    
 H    1.615100      -2.393800      -1.440900    


%chk=000001542-Freq.chk
%nprocshared=12
%mem=21GB
#p freq=noraman PBEPBE/SDD

000001542

0 1
I 4.481468 1.127569 -0.712641
O 1.244952 -1.089489 -1.635309
O 1.842579 -1.804394 0.491780
C 1.475212 0.601866 0.081232
C 0.306764 0.798759 1.117072
C -1.055378 0.423181 0.550027
C 2.791940 1.059706 0.727309
C 1.556871 -0.874072 -0.295868
C -1.769334 1.333142 -0.271421
C -1.624422 -0.849258 0.811792
C -3.021482 0.980622 -0.821296
C -2.877671 -1.205255 0.263343
C -3.579870 -0.291799 -0.555896
H 1.260155 1.187610 -0.827495
H 0.535456 0.190329 2.011628
H 0.313842 1.862776 1.421430
H 2.720798 2.089371 1.108049
H 3.123424 0.368139 1.516866
H -1.344758 2.324081 -0.478105
H -1.083872 -1.561167 1.447584
H -3.562153 1.695680 -1.451568
H -3.305986 -2.190767 0.478315
H -4.552528 -0.565669 -0.979582
H 1.288093 -2.064660 -1.836246


