%chk=000160253.chk
%nprocshared=12
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000160253

0 1
 I    3.442100       2.339000     -0.3327000    
 O   -3.724200     -0.8445000     -0.8913000    
 O   -3.798900      0.1163000       1.160600    
 O    2.992900     -0.7362000       1.439700    
 N    1.913600     -0.9379000     -0.6086000    
 N   -1.808600       1.867300      0.5756000    
 C  -0.9221000      3.3100002E-02 -0.8383000    
 C  -0.3778000     -0.8448000      0.3000000    
 C   -2.141000      0.8872000     -0.4578000    
 C   0.7947000      -1.713900     -0.1483000    
 C   -3.293800      3.8800001E-02  4.8099998E-02
 C    2.932200     -0.5079000      0.2328000    
 C    3.990800      0.3034000     -0.4797000    
 H  -0.1297000      0.6976000      -1.205600    
 H   -1.191900     -0.6160000      -1.681400    
 H   -1.168000      -1.502800      0.6785000    
 H  -5.2299999E-02 -0.2143000       1.135400    
 H   -2.497800       1.436100      -1.336600    
 H    1.117900      -2.350000      0.6830000    
 H   0.4910000      -2.368800     -0.9720000    
 H    1.944100     -0.6879000      -1.592600    
 H   -1.010300       2.424700      0.2737000    
 H   -1.516200       1.396200       1.430300    
 H    4.076400     -1.4800000E-02  -1.523800    
 H    4.956100      0.1095000     -5.0000002E-04
 H   -4.468600      -1.392800     -0.5632000    


%chk=000160253-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000160253

0 1
I 4.119853 1.155828 -2.377941
O -3.949758 -0.569049 -0.902073
O -3.633923 -0.188895 1.366624
O 2.888733 -0.815040 1.391218
N 1.965872 -0.863995 -0.750692
N -1.775626 1.793301 0.829754
C -0.998253 0.029038 -0.859871
C -0.386810 -0.940394 0.170717
C -2.155068 0.926300 -0.281698
C 0.829039 -1.727953 -0.373280
C -3.300790 0.032911 0.181798
C 2.903608 -0.471940 0.165287
C 4.073709 0.414043 -0.270034
H -0.216467 0.722132 -1.231343
H -1.387964 -0.527674 -1.734876
H -1.145939 -1.678557 0.497846
H -0.073513 -0.386262 1.075286
H -2.543271 1.525040 -1.130594
H 1.187778 -2.424715 0.404904
H 0.541613 -2.317118 -1.264153
H 2.052502 -0.532048 -1.714867
H -0.899086 2.303862 0.730123
H -1.979191 1.430876 1.763195
H 5.017263 -0.138801 -0.146449
H 4.094616 1.322523 0.349646
H -4.678326 -1.156813 -0.563227


