%chk=000125495.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000125495

0 1
 I    2.630700      -3.658400      -1.126800    
 O    1.540400     -0.5286000     -0.8811000    
 O    3.295300       2.106900     -0.3639000    
 O    3.936100      0.3732000       1.640100    
 O   -4.529200      0.5009000      0.5728000    
 N  -0.1588000       1.070900     -0.4462000    
 N   -2.117900       2.088900     -2.5900001E-02
 N  -0.9350000      -1.221600     -0.2003000    
 N  -0.1724000       3.426000     -0.5107000    
 N   -3.265400      -1.428000      0.3416000    
 N   -1.875700      -3.314100      7.8199998E-02
 C    1.257500      0.8823000     -0.7647000    
 C    2.205000       1.458600      0.2888000    
 C    2.669000      0.2228000       1.036700    
 C    2.677400     -0.8317000     -5.6400001E-02
 C    2.566300      -2.250900      0.4710000    
 C   -1.079500      0.1060000     -0.2064000    
 C  -0.8414000       2.262900     -0.3237000    
 C   -2.264700      0.7323000      4.7499999E-02
 C   -3.454400     -4.0399998E-02  0.3439000    
 C   -2.083200      -1.957800      8.5500002E-02
 H    1.406100       1.327100      -1.755800    
 H    1.761800       2.188500      0.9723000    
 H    1.929700     -2.7500000E-02   1.807900    
 H    3.580500     -0.7300000     -0.6732000    
 H    1.625600      -2.385700       1.016400    
 H    3.383000      -2.462200       1.169400    
 H    2.933500       2.863300     -0.8560000    
 H    4.165000     -0.4710000       2.063800    
 H  -6.3000001E-02  -1.693800     -0.4102000    
 H   0.8045000       3.476600     -0.7775000    
 H  -0.6441000       4.320400     -0.4212000    
 H   -2.631800      -3.961700      0.2713000    
 H  -0.9621000      -3.708300     -0.1177000    


%chk=000125495-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000125495

0 1
I 2.204825 -3.876435 -0.647386
O 1.612550 -0.515348 -1.011393
O 3.416404 2.003795 -0.799624
O 4.104937 0.553514 1.391801
O -4.493160 0.241162 1.069709
N -0.127572 1.036097 -0.454262
N -2.058415 2.023355 0.310853
N -0.955237 -1.346544 -0.455776
N -0.187875 3.491780 -0.207371
N -3.216335 -1.610210 0.372592
N -1.980461 -3.471946 -0.343941
C 1.265012 0.914127 -0.943869
C 2.288590 1.566458 0.013927
C 2.723877 0.385891 0.930356
C 2.673309 -0.839445 -0.019483
C 2.334850 -2.130044 0.712786
C -1.064397 0.016836 -0.221656
C -0.817298 2.245028 -0.133434
C -2.227416 0.619829 0.272961
C -3.405822 -0.203979 0.609986
C -2.094479 -2.109616 -0.124279
H 1.364901 1.333763 -1.961117
H 1.851350 2.410984 0.576410
H 2.017326 0.273082 1.775388
H 3.637616 -0.921718 -0.553379
H 1.355035 -2.087754 1.213504
H 3.132390 -2.391406 1.424859
H 4.243941 1.842205 -0.267694
H 4.123418 0.977896 2.285325
H -0.117564 -1.724478 -0.907972
H 0.350866 3.730325 -1.042396
H -0.757678 4.248878 0.173968
H -2.798647 -4.033175 -0.122017
H -1.110039 -3.917008 -0.627874


