%chk=000121068.chk
%nprocshared=8
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000121068

0 1
 I   0.8509000     -0.7694000       2.994700    
 I   0.4563000      -1.460500      -3.077800    
 I    4.309700       2.499800     -0.8555000    
 O   -2.420300      -2.230900      0.3209000    
 O   -4.884700       2.022800     -0.1085000    
 O   -2.692100       2.620500     -0.1577000    
 N  -0.1098000      -1.869800      0.1127000    
 N    3.038000       1.363500       1.933400    
 C   0.9094000     -0.8587000     -8.2000002E-02
 C   -1.762500      1.6100001E-02  2.7799999E-02
 C   -1.459700      -1.470700      0.1607000    
 C   -3.260300      0.2869000      9.8800004E-02
 C    1.459500     -0.2569000       1.021200    
 C    1.275700     -0.5552000      -1.369300    
 C   0.3045000      -3.274200      0.2526000    
 C    2.441800      0.7136000      0.8245000    
 C    2.258000      0.4156000      -1.565900    
 C    2.841000       1.049900     -0.4690000    
 C   -3.555300       1.757700     -6.1600000E-02
 H   -1.381000      0.3831000     -0.9300000    
 H   -1.264000      0.5675000      0.8302000    
 H   -3.663100     -3.7200000E-02   1.065000    
 H   -3.779700     -0.2522000     -0.7018000    
 H  -0.1727000      -3.693100       1.143400    
 H    1.391600      -3.358200      0.3329000    
 H  -5.4699998E-02  -3.830300     -0.6179000    
 H    2.569600      0.6779000      -2.574900    
 H    2.752300       1.120800       2.872600    
 H    3.751000       2.064700       1.783200    
 H   -5.063300       2.980700     -0.2220000    


%chk=000121068-Freq.chk
%nprocshared=8
%mem=21GB
#p freq=noraman PBEPBE/SDD

000121068

0 1
I 0.916198 -0.596421 2.997011
I 0.356134 -1.494866 -3.091305
I 4.635308 2.326174 -1.022049
O -2.402229 -2.285389 0.522546
O -5.013670 1.983097 -0.406973
O -3.180259 2.511494 0.911527
N -0.158008 -1.785104 0.168401
N 3.263571 1.376114 1.830141
C 0.890576 -0.838595 -0.088083
C -1.832889 0.066306 0.095942
C -1.510424 -1.420617 0.272115
C -3.334310 0.279252 -0.154993
C 1.556799 -0.183622 0.981623
C 1.324665 -0.568205 -1.415625
C 0.238009 -3.202016 0.330982
C 2.634630 0.741425 0.779931
C 2.384928 0.329889 -1.657346
C 3.022881 0.966944 -0.580722
C -3.777556 1.684891 0.184600
H -1.230532 0.501921 -0.720532
H -1.538499 0.606298 1.017932
H -3.909377 -0.431870 0.471468
H -3.617874 0.049728 -1.196364
H -0.675526 -3.775210 0.553860
H 0.954507 -3.309682 1.164903
H 0.695299 -3.583470 -0.599494
H 2.708098 0.532347 -2.680310
H 2.961428 1.211021 2.788518
H 4.019568 2.034834 1.652179
H -5.295344 2.897132 -0.129182


