%chk=000001300.chk
%nprocshared=12
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000001300

0 1
 I    3.712700      -2.142300      0.5905000    
 O   -1.609100      0.4632000       1.821800    
 O  -0.6273000       1.904000     -0.9897000    
 O   -3.381500       1.023400      0.5211000    
 O    3.650300       1.096700      0.4751000    
 N   4.0700000E-02 -0.3118000     -0.6980000    
 N   -3.476500      -1.570600     -0.3942000    
 N    1.503800       1.477800     -0.2581000    
 C   -1.238800     -0.8768000      -1.111900    
 C   -2.189900      -1.057500      7.2099999E-02
 C   0.2303000       1.075900     -0.6754000    
 C    1.043200      -1.188600     -0.3350000    
 C   -2.477100      0.2463000      0.7972000    
 C    2.260100     -0.7983000      6.3100003E-02
 C    2.558900      0.6588000      0.1211000    
 H   -1.687000     -0.1936000      -1.845400    
 H   -1.068800      -1.828100      -1.632500    
 H   -1.776400      -1.771900      0.7941000    
 H   0.7823000      -2.241500     -0.3878000    
 H   -4.071100      -1.784400      0.4059000    
 H   -3.335600      -2.452600     -0.8854000    
 H    1.674300       2.479200     -0.2303000    
 H   -1.799300       1.304200       2.289500    


%chk=000001300-Freq.chk
%nprocshared=12
%mem=21GB
#p freq=noraman PBEPBE/SDD

000001300

0 1
I 3.835356 -2.168996 0.571831
O -1.523963 0.462285 1.752351
O -0.643112 1.933147 -0.963475
O -3.643991 0.696495 0.817670
O 3.733679 1.184331 0.497801
N 0.072757 -0.298328 -0.726950
N -3.368940 -1.866072 -0.446097
N 1.546379 1.487104 -0.257849
C -1.260245 -0.807816 -1.115436
C -2.192436 -1.177562 0.088805
C 0.261493 1.107515 -0.666704
C 1.083714 -1.184467 -0.366177
C -2.561191 0.081238 0.897704
C 2.328023 -0.771323 0.050057
C 2.647049 0.662596 0.135776
H -1.746812 -0.038113 -1.737446
H -1.141838 -1.728198 -1.710186
H -1.635701 -1.861497 0.754318
H 0.828753 -2.244629 -0.443619
H -4.078228 -1.217819 -0.808187
H -3.780812 -2.551304 0.193231
H 1.715461 2.497890 -0.220978
H -1.757196 1.315022 2.211360


