%chk=000172981.chk
%nprocshared=4
%mem=3800MB
#p opt=(loose) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000172981

0 1
 I    2.855400      -2.596300      0.5497000    
 O   -1.827900      -1.447900      -1.269600    
 O    4.029500      0.2112000     -0.6366000    
 O   -3.519800      -1.438500      0.2414000    
 N   -3.619400       1.297500      5.2800000E-02
 C   -1.350500      0.9326000      0.9095000    
 C   -2.343600      0.6424000     -0.2266000    
 C   8.9100003E-02  0.7258000      0.4983000    
 C   0.6713000     -0.5198000      0.6649000    
 C   0.7980000       1.788800     -3.6400001E-02
 C   -2.637900     -0.8416000     -0.3631000    
 C    2.000500     -0.7078000      0.2858000    
 C    2.127000       1.600800     -0.4155000    
 C    2.728200      0.3526000     -0.2545000    
 H   -1.572300      0.3122000       1.788700    
 H   -1.455500       1.971400       1.253000    
 H   -1.983000       1.020400      -1.190300    
 H   9.3999997E-02  -1.336900       1.090100    
 H   0.3377000       2.763800     -0.1679000    
 H   -3.480400       2.306200      0.1076000    
 H   -3.960200       1.014600      0.9715000    
 H    2.680300       2.436800     -0.8353000    
 H   -2.032300      -2.402900      -1.361400    
 H    4.356200       1.058300     -0.9852000    


%chk=000172981-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000172981

0 1
I 2.830010 -2.642005 0.902960
O -1.780404 -0.955688 -1.703529
O 4.025845 -0.112183 -0.655922
O -2.790759 -1.616849 0.279617
N -3.827138 1.083335 0.240343
C -1.375874 1.106347 0.974873
C -2.443600 0.785360 -0.146915
C 0.059871 0.819134 0.572721
C 0.653364 -0.437891 0.862575
C 0.826899 1.773270 -0.140686
C -2.379710 -0.704733 -0.473952
C 1.967090 -0.734010 0.448415
C 2.141845 1.484605 -0.555796
C 2.724844 0.225197 -0.267162
H -1.660893 0.524894 1.871789
H -1.500720 2.178808 1.219607
H -2.184845 1.352048 -1.057374
H 0.081930 -1.189192 1.418526
H 0.396130 2.754890 -0.370841
H -4.029110 2.070762 0.409946
H -4.209705 0.449631 0.948217
H 2.724417 2.236607 -1.104043
H -1.716263 -1.939699 -1.850691
H 4.451176 0.631060 -1.151781


