%chk=000158852.chk
%nprocshared=8
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000158852

0 1
 I   -5.287000      0.7649000       1.061100    
 O    1.513300      -1.475300      0.7122000    
 O    3.946300     -0.2065000       1.352000    
 N    2.549600      0.2513000     -0.4631000    
 N    4.499400       1.437100     -0.1554000    
 C  -0.9012000     -0.2840000     -0.7320000    
 C   0.4595000     -0.6090000      -1.289200    
 C   -1.742000      -1.314800     -0.3371000    
 C   -1.294700       1.042300     -0.6221000    
 C    1.540400     -0.6854000     -0.2277000    
 C   -3.002500      -1.013100      0.1785000    
 C   -2.555100       1.343900     -0.1063000    
 C   -3.409100      0.3162000      0.2940000    
 C    3.683000      0.4325000      0.3351000    
 H   0.7134000      0.1151000      -2.073000    
 H   0.4351000      -1.581900      -1.797400    
 H   -1.434300      -2.353200     -0.4213000    
 H  -0.6357000       1.849400     -0.9296000    
 H   -3.652100      -1.829200      0.4848000    
 H   -2.851800       2.386500     -2.4700001E-02
 H    2.468800      0.8601000      -1.272700    
 H    4.264700       1.953300     -0.9964000    
 H    5.362400       1.688200      0.3151000    


%chk=000158852-Freq.chk
%nprocshared=8
%mem=21GB
#p freq=noraman PBEPBE/SDD

000158852

0 1
I -4.150699 1.876300 1.782972
O 2.683016 -1.855055 -1.680809
O 4.420797 0.238974 -0.490501
N 2.043364 0.056375 -0.457459
N 3.174534 1.317924 1.159082
C -0.714443 -0.429232 -1.013604
C 0.350203 -1.123688 -1.843234
C -1.262215 -1.058651 0.136052
C -1.173887 0.871786 -1.347483
C 1.813064 -1.028881 -1.321320
C -2.234571 -0.413968 0.932610
C -2.146328 1.533628 -0.561639
C -2.668726 0.883608 0.577561
C 3.315420 0.504356 0.035271
H 0.372081 -0.713615 -2.871184
H 0.145879 -2.203655 -1.941348
H -0.931124 -2.066998 0.411576
H -0.781085 1.375091 -2.239223
H -2.647374 -0.919192 1.810533
H -2.490930 2.533175 -0.841447
H 1.213671 0.594493 -0.187270
H 2.313931 1.385833 1.699769
H 4.025824 1.729792 1.535895


